Docked Congeneric Series
PDB ID and ligand HET ID | Target | Crystal structure ligand | Surflex score range | Affinity range (nM) | View/Download |
---|---|---|---|---|---|
11GS, EAA | Glutathione S-transferase Pi | CHEMBL456 | 0.53 - 1.74 | 704 - 40000 | 10 |
1A29, TFP | Calmodulin | TRIFLUOPERAZINE | 2.85 - 3.16 | 1000 - 10300 | 2 |
1AO8, MTX | Dihydrofolate reductase | MTX | 4.85 - 9.80 | 4 - 100000 | 14 |
1AQ1, STU | Cyclin-dependent kinase 2 | Staurosporine | 8.11 - 13.24 | 3 - 680 | 10 |
1AU0, SDK | Cathepsin K | CHEMBL281540 | 3.95 - 9.31 | 2 - 10000 | 8 |
1AU3, PCM | Cathepsin K | pyrrolidinone analogue, 24 | 3.94 - 10.21 | 0.60 - 250 | 11 |
1AU4, INP | Cathepsin K | CHEMBL119285 | 4.17 - 10.08 | 0.60 - 250 | 12 |
1AXW, MTX | Thymidylate synthase | MTX | 5.35 - 9.55 | 5 - 180000 | 9 |
1AYV, IN6 | Cathepsin K | CHEMBL57836 | 2.06 - 2.71 | 10 - 13000 | 2 |
1B6A, TN4 | Methionine Aminopeptidase Type 2 (MetAP2) | TNP-470 | 3.48 - 6.48 | 0.10 - 53600 | 10 |
1BCD, FMS | Carbonic anhydrase 2 | CHEMBL67511 | 1.83 - 4.56 | 30 - 390000000 | 3 |
1BGQ, RDC | Heat Shock Protein 90 (Hsp90) | cid_16196977 | 0.06 - 5.86 | 30 - 100000 | 8 |
1BN1, AL5 | Carbonic anhydrase 2 | AL5917 | 4.45 - 7.50 | 0.46 - 0.83 | 3 |
1BN3, AL6 | Carbonic anhydrase 2 | AL6528 | 5.45 - 8.43 | 0.08 - 2 | 14 |
1BN4, AL9 | Carbonic anhydrase 2 | AL5927 | 4.09 - 6.20 | 0.46 - 0.83 | 3 |
1BNM, AL8 | Carbonic anhydrase 2 | AL7089 | 4.36 - 7.77 | 0.08 - 3000 | 13 |
1BNN, AL1 | Carbonic anhydrase 2 | AL7182 | 4.86 - 7.06 | 0.08 - 3000 | 14 |
1BNQ, AL4 | Carbonic anhydrase 2 | AL4623 | 3.07 - 6.42 | 0.10 - 3000 | 10 |
1BNT, AL2 | Carbonic anhydrase 2 | AL5424 | 5.12 - 7.50 | 0.08 - 3000 | 13 |
1BNU, AL3 | Carbonic anhydrase 2 | AL5300 | 2.87 - 4.81 | 0.10 - 3000 | 9 |
1BNV, AL7 | Carbonic anhydrase 2 | AL7099 | 4.66 - 8.55 | 0.10 - 3000 | 12 |
1BNW, TPD | Carbonic anhydrase 2 | AL5415 | 4.50 - 6.40 | 0.20 - 0.83 | 4 |
1BR6, PT1 | Ricin | Pteridine deriv. 12 | 6.73 - 10.41 | 600000 - 700000 | 2 |
1BSX, T3 | Thyroid Hormone Receptor (TR-beta) | 3,5,3'-triiodo-L-thyronine (T3) | 5.42 - 9.77 | 0.02 - 271 | 6 |
1BZJ, PIC | Protein-tyrosine phosphatase 1B (PTP1B) | CHEMBL99447 | 8.08 - 10.21 | 120 - 718100 | 10 |
1C0T, BM1 | HIV-1 Reverse Transcriptase RNase H | Thiazoloisoindol-5-one deriv. 13R | 5.75 - 8.31 | 16 - 280 | 3 |
1C0U, BM5 | HIV-1 Reverse Transcriptase RNase H | Thiazoloisoindol-5-one deriv. 43 | 5.30 - 6.48 | 16 - 280 | 3 |
1CAH, BCT | Carbonic anhydrase 2 | bicarbonate ion | 4.82 - 4.82 | 73000000 - 73000000 | 2 |
1CBR, REA | Cellular retinoic acid-binding protein I | AT-RA | 5.61 - 9.21 | 0.30 - 200 | 6 |
1CIL, ETS | Carbonic anhydrase 2 | Dorzolamide (DZA) | 4.93 - 7.70 | 0.14 - 9000 | 13 |
1CJ1, C78 | GRB2 | CHEMBL307890 | 10.53 - 13.37 | 0.00 - 5000 | 6 |
1CKP, PVB | Cyclin-dependent kinase 2 | Purvalanol B | 4.04 - 9.99 | 6 - 250000 | 12 |
1CNW, EG1 | Carbonic anhydrase 2 | CHEBI:217926 | 3.73 - 6.21 | 1.00 - 330 | 14 |
1CTR, TFP | Calmodulin | TRIFLUOPERAZINE | 3.78 - 3.86 | 1000 - 10300 | 2 |
1D3G, BRE | Dihydroorotate Dehydrogenase (DHODH) | CHEMBL220467 | 9.64 - 12.69 | 3 - 500 | 17 |
1D3H, A26 | Dihydroorotate Dehydrogenase (DHODH) | Alpha-cyano-beta-hydroxy enamide, 1 | 1.19 - 6.27 | 11 - 1083 | 6 |
1DDU, CB3 | Thymidylate synthase | CHEMBL265510 | 4.09 - 7.60 | 5 - 180000 | 8 |
1DMT, RDF | Neprilysin | Phosphoramidon | 12.64 - 15.17 | 0.40 - 100 | 3 |
1E8W, QUE | Phosphoinositide 3-Kinase (PI3K), gamma | Quercetin | 4.35 - 4.71 | 1800 - 3800 | 2 |
1E90, MYC | Phosphoinositide 3-Kinase (PI3K), gamma | Myricetin, 17 | 6.10 - 6.46 | 1800 - 3800 | 2 |
1EF3, FID | Aldose reductase | Fidarestat | 2.49 - 7.22 | 9 - 100000 | 5 |
1EK2, CDU | Epoxide hydratase | CHEMBL67158 | 4.57 - 11.04 | 4 - 500000 | 12 |
1EOU, SMS | Carbonic anhydrase 2 | RWJ-37947 | 3.26 - 7.65 | 10 - 13000 | 6 |
1ETS, MID | Thrombin | CHEMBL51173 | 5.28 - 11.24 | 6 - 6000 | 11 |
1F0Q, EMO | Casein Kinase II | Emodin | 4.38 - 7.68 | 350 - 40000 | 4 |
1FJ4, TLM | 3-oxoacyl-[acyl-carrier-protein] synthase 1 | CHEMBL399043 | 5.14 - 8.46 | 20000 - 1000000 | 12 |
1FK9, EFZ | HIV-1 Reverse Transcriptase RNase H | Efavirenz | 7.37 - 8.14 | 4 - 1958 | 3 |
1FVV, 107 | Cyclin A2 | Other, 22 | 9.32 - 11.86 | 0.54 - 333 | 15 |
1G27, BB1 | Peptide Deformylase | CHEMBL431210 | 10.30 - 11.48 | 7 - 40 | 3 |
1G2A, BB2 | Peptide Deformylase | cid_2020 | 3.37 - 11.58 | 0.23 - 109 | 4 |
1G45, FSB | Carbonic Anhydrase II Mutant (F131V) | 2-fluoro-SBB | 5.34 - 6.20 | 2 - 6 | 8 |
1G46, F2B | Carbonic Anhydrase II Mutant (F131V) | 2,3-difluoro-SBB | 5.03 - 6.43 | 2 - 6 | 11 |
1G48, F6B | Carbonic Anhydrase II Mutant (F131V) | 2,6-difluoro-SBB | 4.85 - 5.56 | 2 - 6 | 7 |
1G4J, FFB | Carbonic Anhydrase II Mutant (F131V) | 2,3,4,5,6-pentafluoro-SBB | 4.66 - 4.92 | 2 - 6 | 9 |
1G4O, BSB | Carbonic Anhydrase II Mutant (F131V) | SBB | 4.62 - 5.60 | 2 - 6 | 11 |
1G5S, I17 | Cyclin-dependent kinase 2 | H717 | 5.16 - 10.67 | 24 - 250000 | 12 |
1G6S, S3P | 5-enolpyruvylshikimate-3-phosphate synthase | CHEBI:145989 | 10.20 - 21.58 | 15 - 90000000 | 13 |
1G6T, S3P | 5-enolpyruvylshikimate-3-phosphate synthase | CHEBI:145989 | 9.78 - 21.37 | 15 - 90000000 | 11 |
1G7G, INX | Protein-tyrosine phosphatase 1B (PTP1B) | sulfotyrosyl tripeptide analog 6 | 8.68 - 14.31 | 220 - 9400 | 5 |
1GIH, 1PU | Cyclin-dependent kinase 2 | diarylurea deriv. 1 | 4.76 - 7.04 | 78 - 25000 | 13 |
1GJ7, 132 | Urokinase (uPA) | APC-10302 | 7.13 - 7.57 | 14 - 370 | 4 |
1GSF, EAA | Glutathione S-transferase A1 | CHEMBL456 | 1.91 - 9.48 | 14 - 13850 | 6 |
1GZ8, MBP | Cyclin-dependent kinase 2 | O6-Substituted Guanine Deriv. 22 | 7.91 - 9.81 | 15000 - 100000 | 13 |
1H0V, UN4 | Cyclin-dependent kinase 2 | O6-Substituted Guanine Deriv. 56 | 7.07 - 9.10 | 15000 - 100000 | 11 |
1H1P, CMG | Cyclin A2 | NU2058 | 5.93 - 8.52 | 5000 - 100000 | 11 |
1H1Q, 2A6 | Cyclin A2 | O6-Cyclohexylmethylguanine deriv. 2 | 7.93 - 10.82 | 69 - 12000 | 11 |
1H1R, 6CP | Cyclin A2 | O6-Cyclohexylmethylguanine deriv. 15 | 8.46 - 10.06 | 69 - 12000 | 9 |
1H1S, 4SP | Cyclin A2 | NU6102 | 8.53 - 11.08 | 5 - 6800 | 13 |
1H82, GZZ | Polyamine oxidase | CHEMBL102276 | 5.00 - 15.24 | 0.08 - 3000 | 14 |
1HFC, PLH | Matrix Metalloproteinase-1 (MMP-1) | CHEMBL11306 | 4.38 - 12.99 | 1.00 - 50000 | 15 |
1HNN, SKF | Phenylethanolamine N-Methyltransferase (PNMT) | SKF 29661 | 4.21 - 9.33 | 52 - 66000 | 10 |
1HPM, ADP | heat shock 70kDa protein 8 isoform 1 | Adenosine Diphosphate (ADP) | 7.96 - 17.01 | 110 - 17300 | 4 |
1HVY, D16 | Thymidylate Synthase (TS) | RTX | 5.94 - 10.08 | 1.00 - 24547 | 13 |
1HVY, UMP | Thymidylate Synthase (TS) | CHEMBL211312 | 7.54 - 11.33 | 15 - 134100 | 12 |
1I00, D16 | Thymidylate Synthase (TS) | RTX | 2.07 - 9.03 | 1.00 - 10000 | 12 |
1I00, UMP | Thymidylate Synthase (TS) | CHEMBL211312 | 9.20 - 11.87 | 14 - 432800 | 11 |
1I8Z, INL | Carbonic anhydrase 2 | AL-6629 | 2.54 - 4.87 | 0.08 - 2 | 15 |
1I91, INQ | Carbonic anhydrase 2 | AL-6619 | 4.95 - 6.87 | 0.08 - 2 | 15 |
1I9L, INV | Carbonic Anhydrase II Mutant (F131V) | 4-fluoro-SBB | 3.96 - 5.05 | 2 - 6 | 11 |
1I9M, INW | Carbonic Anhydrase II Mutant (F131V) | 2,4-difluoro-SBB | 4.97 - 5.58 | 2 - 6 | 11 |
1I9N, IOA | Carbonic Anhydrase II Mutant (F131V) | 2,5-difluoro-SBB | 3.40 - 4.53 | 2 - 6 | 11 |
1I9O, IOC | Carbonic Anhydrase II Mutant (F131V) | 2,3,4-trifluoro-SBB | 3.42 - 3.90 | 2 - 6 | 8 |
1I9P, IOE | Carbonic Anhydrase II Mutant (F131V) | 2,4,6-trifluoro-SBB | 2.65 - 3.94 | 2 - 6 | 9 |
1I9Q, IOF | Carbonic Anhydrase II Mutant (F131V) | 3,4,5-trifluoro-SBB | 3.13 - 3.92 | 2 - 6 | 11 |
1ICT, T44 | Transthyretin | CHEMBL1624 | 3.35 - 3.88 | 7170 - 10500 | 2 |
1IEP, STI | ABL | Imatinib, 21 | 12.02 - 16.74 | 9 - 11 | 2 |
1IF4, FBS | Carbonic anhydrase 2 | 4-Fuloro sulfonamide, C | 3.64 - 4.67 | 0.80 - 16672472 | 8 |
1IL3, 7DG | Ricin | CHEBI:162890 | 7.77 - 8.23 | 900000 - 2800000 | 2 |
1IPC, MGP | Eukaryotic translation initation factor | CHEMBL1094973 | 7.31 - 11.14 | 28 - 56800 | 14 |
1ITO, E6C | Cathepsin B | epoxysuccinyl derivative E64c | 1.34 - 5.26 | 23 - 68000 | 13 |
1IYK, MIM | Myristoyl-CoA:protein N-myristoyltransferase (Nmt) | CHEMBL6269 | 7.23 - 20.00 | 31 - 110000 | 14 |
1IYL, R64 | Myristoyl-CoA:protein N-myristoyltransferase (Nmt) | Non peptidic, 5 | 8.00 - 12.37 | 1.00 - 1700 | 5 |
1J3J, CP6 | Dihydrofolate Reductase-Thymidylate Synthase (DHFR-TS) Mutant V1/S | Pyrimethamine (Pyr) | 4.06 - 7.32 | 0.30 - 100000 | 10 |
1JLQ, SBN | HIV-1 Reverse Transcriptase RNase H | 2-Amino-6-arylthiobenzonitrile deriv. 3v, 739W94 | 4.07 - 6.33 | 7 - 21000 | 14 |
1JQD, SAH | Histamine N-methyltransferase | CHEMBL418052 | 11.27 - 11.75 | 10400 - 59800 | 2 |
1JVU, C2P | RNase A | CHEMBL582887 | 1.60 - 9.96 | 41 - 844200 | 14 |
1K1O, IGN | Trypsin I | CHEMBL299617 | 8.31 - 10.34 | 1200 - 215000 | 7 |
1K3L, GTX | Glutathione S-transferase A1 | CHEMBL58135 | 12.92 - 14.91 | 840 - 360000 | 7 |
1K3Y, GTX | Glutathione S-transferase A1 | CHEMBL58135 | 12.96 - 15.14 | 840 - 360000 | 7 |
1KAK, FNP | Protein-tyrosine phosphatase 1B (PTP1B) | CHEBI:334115 | 0.70 - 11.52 | 120 - 500000 | 9 |
1KAV, FEP | Protein-tyrosine phosphatase 1B (PTP1B) | CHEBI:334177 | 1.12 - 15.09 | 2 - 778900 | 12 |
1KCE, CB3 | Thymidylate synthase | CHEMBL265510 | 5.93 - 8.96 | 5 - 180000 | 9 |
1KE5, LS1 | Cyclin-dependent kinase 2 | Oxindole-Based Inhibitor 98 | 6.26 - 10.46 | 2 - 1000 | 12 |
1KE6, LS2 | Cyclin-dependent kinase 2 | Oxindole-Based Inhibitor 105 | 2.80 - 9.54 | 2 - 75 | 15 |
1KE7, LS3 | Cyclin-dependent kinase 2 | Oxindole-Based Inhibitor 109 | 6.79 - 10.10 | 2 - 54 | 9 |
1KE8, LS4 | Cyclin-dependent kinase 2 | Oxindole-Based Inhibitor 100 | 4.91 - 9.24 | 2 - 1000 | 12 |
1KE9, LS5 | Cyclin-dependent kinase 2 | CS241 | 5.92 - 9.39 | 22 - 1000 | 12 |
1KLM, SPP | HIV-1 Reverse Transcriptase RNase H | U-90152S | 8.98 - 13.48 | 250 - 8300 | 12 |
1KWQ, SG1 | Carbonic anhydrase 2 | LeadQuest Compound 7 | 2.24 - 5.45 | 0.62 - 3500 | 13 |
1L8B, MGP | Eukaryotic translation initiation factor 4E | CHEMBL1094973 | 6.57 - 11.12 | 10 - 69100 | 14 |
1LD7, U66 | Protein Farnesyltransferase (PFT) | Macrocyclic 3-Aminopyrrolidinone analog 66 | 2.26 - 6.20 | 1.00 - 2200 | 7 |
1LD8, U49 | Protein Farnesyltransferase (PFT) | Macrocyclic 3-Aminopyrrolidinone analog 50 | 0.15 - 5.71 | 0.10 - 20000 | 10 |
1LF3, EH5 | Plasmepsin 2 | CHEMBL32997 | 1.96 - 13.52 | 2 - 30000 | 15 |
1LIN, TFP | Calmodulin | TRIFLUOPERAZINE | 3.41 - 4.34 | 1000 - 10300 | 2 |
1LRU, BB2 | Peptide Deformylase | cid_2020 | 2.49 - 11.84 | 0.23 - 109 | 4 |
1M2P, HNA | Casein Kinase II | MNA | 3.89 - 5.55 | 350 - 40000 | 4 |
1M2Q, MNX | Casein Kinase II | MNX | 4.44 - 4.70 | 800 - 40000 | 2 |
1M2R, MNY | Casein Kinase II | DAA | 3.41 - 6.01 | 350 - 40000 | 4 |
1MZC, BNE | Protein Farnesyltransferase (PFT) | CHEMBL294888 | 0.46 - 7.68 | 0.06 - 20000 | 7 |
1N3Z, ADN | Seminal ribonuclease | cid_60961 | 1.48 - 2.11 | 27900 - 1557900 | 2 |
1N3Z, U3P | Seminal ribonuclease | CHEMBL460741 | 5.03 - 5.89 | 40800 - 63200 | 2 |
1N46, PFA | Thyroid Hormone Receptor (TR-beta) | CHEMBL125381 | 3.20 - 11.92 | 0.03 - 1.00 | 3 |
1N5K, TMP | Thymidylate kinase | CHEMBL394429 | 10.30 - 11.60 | 4500 - 110000 | 4 |
1N5L, TMP | Thymidylate kinase | CHEMBL394429 | 7.56 - 8.57 | 4500 - 110000 | 4 |
1N5R, PRM | Acetylcholinesterase (AChE) | propidium iodide | 3.87 - 4.97 | 0.00 - 160000 | 3 |
1N7I, LY1 | Phenylethanolamine N-Methyltransferase (PNMT) | LY134046 | 0.68 - 6.65 | 3 - 50000 | 15 |
1NAX, IH5 | Thyroid Hormone Receptor (TR-beta) | KB-141 | 5.22 - 11.91 | 0.15 - 2140 | 13 |
1NHG, TCL | Enoyl-ACP Reductase (PfENR) | Triclosan | 1.36 - 3.56 | 49 - 7000 | 12 |
1NL6, 750 | Cathepsin K | CHEMBL284939 | 1.58 - 8.19 | 0.01 - 980 | 15 |
1NL9, 989 | Protein-tyrosine phosphatase 1B (PTP1B) | Oxalylarylaminobenzoic Acid Analog 12a | 14.97 - 19.54 | 20 - 100000 | 15 |
1NLJ, 2CA | Cathepsin K | Azepan-3-one compound 1 | 3.75 - 9.24 | 0.01 - 670 | 10 |
1NNY, 515 | Protein-tyrosine phosphatase 1B (PTP1B) | linked-fragment derived compound 23 | 12.12 - 19.22 | 18 - 1100 | 8 |
1NO6, 794 | Protein-tyrosine phosphatase 1B (PTP1B) | naphthyloxamic acid 5 | 9.89 - 12.64 | 17000 - 1700000 | 6 |
1NVQ, UCN | Checkpoint kinase-1 (CHK1) | UCN-01 | 7.58 - 12.35 | 2 - 30 | 8 |
1NVR, STU | Checkpoint kinase-1 (CHK1) | Staurosporine | 7.08 - 10.35 | 2 - 30 | 8 |
1NVS, UCM | Checkpoint kinase-1 (CHK1) | SB-218078 | 1.71 - 9.68 | 2 - 1300000 | 12 |
1NXK, STU | MAPK-Activated Protein Kinase 2 (MK2) | Staurosporine | 7.34 - 11.44 | 400 - 3400 | 4 |
1NZ7, 901 | Protein-tyrosine phosphatase 1B (PTP1B) | oxalyl-aryl-amino benzoic acid-based inhibitor 19 | 15.64 - 22.73 | 63 - 3400 | 15 |
1O0M, U2P | RNase A | CHEMBL447360 | 1.99 - 7.38 | 27 - 647000 | 13 |
1O0N, U3P | RNase A | CHEMBL460741 | 2.84 - 10.35 | 27 - 844200 | 13 |
1O3P, 655 | Urokinase (uPA) | APC-10655 | 6.78 - 8.70 | 30 - 370 | 5 |
1O41, 300 | Tyrosine-protein kinase SRC | RU78300 | 4.71 - 7.71 | 80000 - 3500000 | 5 |
1O42, 843 | Tyrosine-protein kinase SRC | RU81843 | 9.80 - 10.39 | 1300 - 9000 | 3 |
1O43, 821 | Tyrosine-protein kinase SRC | RU82129 | 10.16 - 12.76 | 3 - 2200 | 5 |
1O44, 852 | Tyrosine-protein kinase SRC | RU85052 | 5.69 - 16.56 | 0.25 - 2300 | 9 |
1O45, 687 | Tyrosine-protein kinase SRC | RU84687 | 9.23 - 12.08 | 0.25 - 9000 | 3 |
1O46, 903 | Tyrosine-protein kinase SRC | RU90395 | 3.24 - 14.31 | 0.25 - 9000 | 9 |
1O47, 822 | Tyrosine-protein kinase SRC | RU82209 | 6.54 - 10.75 | 4 - 30000 | 9 |
1O48, 853 | Tyrosine-protein kinase SRC | RU85053 | 7.05 - 15.96 | 0.25 - 2200 | 9 |
1O49, 493 | Tyrosine-protein kinase SRC | RU85493 | 3.98 - 13.22 | 26 - 378000 | 10 |
1O4A, 197 | Tyrosine-protein kinase SRC | RU82197 | 6.08 - 11.50 | 3 - 1300 | 6 |
1O4B, 876 | Tyrosine-protein kinase SRC | RU83876 | 4.25 - 10.07 | 26 - 100000 | 7 |
1O4D, 262 | Tyrosine-protein kinase SRC | RU78262 | 2.48 - 5.53 | 80000 - 3500000 | 5 |
1O4E, 299 | Tyrosine-protein kinase SRC | RU78299 | 2.22 - 3.81 | 39000 - 4000000 | 5 |
1O4F, 790 | Tyrosine-protein kinase SRC | RU79073 | 0.05 - 3.78 | 300000 - 300000 | 2 |
1O4G, I59 | Tyrosine-protein kinase SRC | DPI59 | 4.05 - 4.41 | 4400000 - 10000000 | 3 |
1O4I, 219 | Tyrosine-protein kinase SRC | PAS219 | 3.52 - 4.89 | 80000 - 10000000 | 6 |
1O4J, IS2 | Tyrosine-protein kinase SRC | ISO24 | 3.04 - 3.59 | 3600000 - 4400000 | 2 |
1O4K, PSN | Tyrosine-protein kinase SRC | PASBN | 3.22 - 5.66 | 500000 - 5000000 | 6 |
1O4O, HPS | Tyrosine-protein kinase SRC | Phenylphosphate | 1.29 - 2.49 | 300000 - 5000000 | 4 |
1O4P, 791 | Tyrosine-protein kinase SRC | RU78191 | 5.62 - 10.36 | 200000 - 2530000 | 2 |
1O4Q, 256 | Tyrosine-protein kinase SRC | RU79256 | 4.36 - 4.36 | 190000 - 3230000 | 2 |
1O4R, 787 | Tyrosine-protein kinase SRC | RU78783 | 5.93 - 9.16 | 3900000 - 10000000 | 4 |
1O5A, 696 | Urokinase (uPA) Mutant (S190A) | APC-8696 | 7.40 - 8.18 | 380 - 39000 | 4 |
1O5C, CR9 | Urokinase (uPA) Mutant (S190A) | CRA-11092 | 6.88 - 8.08 | 3900 - 39000 | 5 |
1O5E, 132 | Hepsin | APC-10302 | 8.24 - 8.30 | 85 - 1800 | 2 |
1OGU, ST8 | Cyclin A2 | 2-arylamino-pyrimidine deriv. 9d | 6.08 - 9.19 | 1.00 - 59000 | 8 |
1OI9, N20 | Cyclin A2 | O6-Cyclohexylmethylguanine deriv. 25 | 9.03 - 10.44 | 69 - 12000 | 11 |
1OIQ, HDU | Cyclin-dependent kinase 2 | Imidazo[1,2-a]pyridine deriv. 2 | 5.25 - 10.73 | 3 - 95000 | 13 |
1OIR, HDY | Cyclin-dependent kinase 2 | Imidazo[1,2-a]pyridine deriv. 6 | 6.84 - 9.75 | 3 - 8800 | 10 |
1OIU, N76 | Cyclin A2 | O6-Cyclohexylmethylguanine deriv. 33 | 5.39 - 9.30 | 5 - 6800 | 12 |
1OIY, N41 | Cyclin A2 | O6-Cyclohexylmethylguanine deriv. 34 | 8.99 - 10.84 | 64 - 970 | 11 |
1ONP, FOM | 1-deoxy-D-xylulose 5-phosphate reductoisomerase (DXR) | CHEMBL203125 | 5.44 - 7.73 | 20 - 4000000 | 5 |
1ONY, 588 | Protein-tyrosine phosphatase 1B (PTP1B) | Oxalylarylaminobenzoic Acid Analog 17 | 10.43 - 19.02 | 126 - 100000 | 13 |
1ONZ, 968 | Protein-tyrosine phosphatase 1B (PTP1B) | Oxalylarylaminobenzoic Acid Analog 8b | 9.61 - 16.05 | 631 - 1700000 | 11 |
1OPJ, STI | ABL | Imatinib, 21 | 11.00 - 17.73 | 9 - 11 | 2 |
1OQ5, CEL | Carbonic anhydrase 2 | CELECOXIB | 2.14 - 7.29 | 8 - 100000 | 11 |
1P2A, 5BN | Cyclin-dependent kinase 2 | trisubstituted naphthostyril analogue 7b | 5.66 - 11.17 | 5 - 5500 | 15 |
1P4R, AMZ | AICAR Tfase | AICAR | 5.71 - 8.95 | 230 - 100000 | 2 |
1P6K, DP1 | Nitric Oxide Synthase, brain Mutant (D597N) | CHEMBL44833 | 7.09 - 7.79 | 21000 - 67000 | 3 |
1PBQ, DK1 | Glutamate (NMDA) receptor subunit zeta 1 | CHEMBL50267 | 3.84 - 11.31 | 14 - 1000000 | 13 |
1PF8, SU9 | Cyclin-dependent kinase 2 | cid_5289419 | 2.86 - 9.55 | 3 - 5355 | 15 |
1PH0, 418 | Protein-tyrosine phosphatase 1B (PTP1B) | CHEMBL325029 | 12.91 - 22.08 | 18 - 17300 | 7 |
1PKD, UCN | Cyclin A2 | UCN-01 | 7.23 - 10.79 | 6 - 680 | 10 |
1PL0, AMZ | AICAR Tfase | AICAR | 8.60 - 9.81 | 150 - 100000 | 2 |
1PQC, 444 | Liver X Receptor beta (LXR-beta) | T0901317 | 0.20 - 7.67 | 20 - 30000 | 11 |
1PXJ, CK2 | Cyclin-dependent kinase 2 | 4-(dimethyl-1,3-thiazol-5-yl)pyrimidin-2-amine, 1 | 0.31 - 6.82 | 20000 - 30300 | 3 |
1PXL, CK4 | Cyclin-dependent kinase 2 | 4-(dimethyl-1,3-thiazol-5-yl)-N-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine, 2 | 5.67 - 7.31 | 80 - 20000 | 13 |
1PXM, CK5 | Cyclin-dependent kinase 2 | 2-Anilino-4-(thiazol-5-yl)pyrimidine deriv. 21 | 2.53 - 5.33 | 60 - 20000 | 12 |
1PXN, CK6 | Cyclin-dependent kinase 2 | 2-Anilino-4-(thiazol-5-yl)pyrimidine deriv. 25 | 5.78 - 7.38 | 2 - 10000 | 8 |
1PXO, CK7 | Cyclin-dependent kinase 2 | CHEMBL298445 | 0.64 - 4.90 | 2 - 10000 | 9 |
1PXP, CK8 | Cyclin-dependent kinase 2 | 4-(dimethyl-1,3-thiazol-5-yl)pyrimidin-2-yl]-1-N,1-N-dimethylbenzene-1,4-diamine, 3 | 1.46 - 3.55 | 45 - 20000 | 12 |
1PYE, PM1 | Cyclin-dependent kinase 2 | aminoimidazo[1,2-a]pyridine deriv. 13 | 3.33 - 7.50 | 33 - 2538 | 15 |
1Q0B, NAT | Kinesin Spindle Protein Eg5 | CHEMBL254432 | 4.17 - 7.07 | 4000 - 62500 | 5 |
1Q1M, 234 | Protein-tyrosine phosphatase 1B (PTP1B) | Isoxazole carboxylic acid analog 1 | 6.07 - 13.46 | 920 - 800000 | 9 |
1Q6J, 335 | Protein-tyrosine phosphatase 1B (PTP1B) | Aryldifluoromethyl-Phosphonic Acid Inhibitor 2 | 6.10 - 15.45 | 3 - 8040 | 11 |
1Q6K, TCO | Cathepsin K | CHEMBL92567 | 2.00 - 4.68 | 26 - 250 | 2 |
1Q6M, P27 | Protein-tyrosine phosphatase 1B (PTP1B) | Aryldifluoromethyl-Phosphonic Acid Inhibitor 3 | 10.01 - 16.69 | 3 - 8040 | 10 |
1Q6N, P90 | Protein-tyrosine phosphatase 1B (PTP1B) | Aryldifluoromethyl-Phosphonic Acid Inhibitor 4 | 12.48 - 14.82 | 5 - 4070 | 12 |
1Q6P, 213 | Protein-tyrosine phosphatase 1B (PTP1B) | Aryldifluoromethyl-Phosphonic Acid Inhibitor 6 | 11.67 - 14.77 | 3 - 8040 | 11 |
1Q6S, 214 | Protein-tyrosine phosphatase 1B (PTP1B) | Aryldifluoromethyl-Phosphonic Acid Inhibitor 9 | 12.55 - 19.42 | 3 - 5340 | 12 |
1Q6T, 600 | Protein-tyrosine phosphatase 1B (PTP1B) | Aryldifluoromethyl-Phosphonic Acid Inhibitor 11 | 12.50 - 19.60 | 3 - 5340 | 14 |
1Q83, TZ5 | Acetylcholinesterase (AChE) | CHEMBL117651 | 6.97 - 15.22 | 0.00 - 1210 | 3 |
1QFS, ZPR | Prolyl endopeptidase | CHEMBL79993 | 4.02 - 8.61 | 0.20 - 2020 | 10 |
1QXK, 429 | Protein-tyrosine phosphatase 1B (PTP1B) | phosphotyrosyl mimetic 20 | 11.48 - 17.77 | 160 - 200000 | 10 |
1R78, FMD | Cyclin-dependent kinase 2 | 4-alkynyl oxindole 7o | 8.66 - 11.05 | 3 - 26 | 16 |
1ROB, C2P | RNase A | CHEMBL582887 | 1.72 - 8.38 | 41 - 844200 | 13 |
1RPF, C3P | RNase A | CHEMBL258728 | 2.47 - 7.44 | 41 - 844200 | 13 |
1RS6, DP2 | Nitric Oxide Synthase, brain | CHEMBL295429 | 2.41 - 8.54 | 74 - 17000 | 5 |
1RS7, D7P | Nitric Oxide Synthase, brain | CHEMBL154221 | 2.33 - 8.89 | 74 - 90000 | 7 |
1RTF, BEN | t-Plasminogen Activator (tPA) | CHEMBL20936 | 4.77 - 6.12 | 34564 - 1000000 | 4 |
1RTS, D16 | Thymidylate synthase | RTX | 5.91 - 6.14 | 360 - 900 | 2 |
1RZB, SO4 | Carbonic anhydrase 2 | sulfate ion | 0.44 - 3.17 | 0.39 - 89000000 | 3 |
1RZD, SO4 | Carbonic anhydrase 2 | sulfate ion | 0.21 - 3.74 | 0.39 - 89000000 | 3 |
1RZE, SO4 | Carbonic anhydrase 2 | sulfate ion | 2.94 - 5.96 | 0.39 - 300000000 | 4 |
1S2C, FLF | 17-beta-Hydroxysteroid Dehydrogenase 5 (17-beta-HSD5, AKR1C3) | Flufenamic acid | 1.50 - 4.95 | 36 - 2800 | 12 |
1S63, 778 | Protein Farnesyltransferase (PFT) | CHEMBL279433 | 2.55 - 5.80 | 1390 - 8700 | 4 |
1S9P, DES | Estrogen-Related Receptor, gamma | Diethylstilbestrol | 3.64 - 10.51 | 130 - 1300 | 7 |
1S9Q, OHT | Estrogen-Related Receptor, gamma | 4-Hydroxytamoxifen | 9.32 - 12.65 | 5 - 1300 | 11 |
1SG0, STL | Quinone reductase 2 | Resveratrol | 2.97 - 4.12 | 450 - 20000 | 3 |
1SM2, STU | Tyrosine-protein kinase ITK | Staurosporine | 9.16 - 10.10 | 2 - 19 | 2 |
1SNU, STU | Tyrosine-protein kinase ITK | Staurosporine | 9.38 - 11.08 | 2 - 19 | 2 |
1SO2, 666 | Phosphodiesterase Type 3 (PDE3B) | MERCK1 | 6.21 - 8.88 | 0.11 - 21 | 15 |
1SQT, UI3 | Urokinase (uPA) | CHEMBL321944 | 8.68 - 9.76 | 630 - 4500 | 3 |
1T40, ID5 | Aldose reductase | CHEMBL399598 | 9.20 - 10.01 | 11 - 35 | 3 |
1T4J, FRJ | Protein-tyrosine phosphatase 1B (PTP1B) | CHEMBL1232829 | 1.75 - 5.65 | 1100 - 38000 | 4 |
1T69, SHH | Histone Deacetylase 8 (HDAC8) | cid_5311 | 4.22 - 6.06 | 232 - 100000 | 3 |
1T9N, SO4 | Carbonic anhydrase 2 | sulfate ion | 3.65 - 6.03 | 0.39 - 300000000 | 4 |
1TDU, CB3 | Thymidylate synthase | CHEMBL265510 | 4.50 - 8.64 | 5 - 180000 | 10 |
1TFQ, 998 | X-linked inhibitor of apoptosis | Capped Tripeptide Analog 2 | 4.59 - 8.49 | 12 - 9500 | 14 |
1TFT, 997 | X-linked inhibitor of apoptosis | Capped Tripeptide Analog 10 | 6.20 - 10.40 | 5 - 14500 | 17 |
1TKT, H12 | HIV-1 Reverse Transcriptase RNase H | quinolone-based inhibitor 2a | 8.29 - 9.26 | 240 - 710 | 4 |
1TKZ, H16 | HIV-1 Reverse Transcriptase RNase H | quinolone-based inhibitor 5 | 8.00 - 9.54 | 240 - 710 | 4 |
1TL1, H18 | HIV-1 Reverse Transcriptase RNase H | quinolone-based inhibitor 6 | 7.44 - 8.37 | 240 - 710 | 4 |
1TL3, H20 | HIV-1 Reverse Transcriptase RNase H | quinolone-based inhibitor 2b | 8.20 - 9.20 | 240 - 710 | 4 |
1TQF, 32P | beta-Secretase (BACE-1) | L-124,671 | 11.87 - 14.46 | 1400 - 100000 | 5 |
1TT1, KAI | Glutamate receptor ionotropic kainate 2 | Kainate | 12.53 - 16.37 | 2 - 12300 | 16 |
1TTM, 667 | Carbonic anhydrase 2 | 667-COUMATE | 0.62 - 5.11 | 15 - 100000 | 11 |
1TV5, A26 | Dihydroorotate Dehydrogenase (DHODH) | Alpha-cyano-beta-hydroxy enamide, 1 | 0.76 - 8.39 | 480 - 28000 | 15 |
1U1B, PAX | RNase A | CHEMBL504858 | 2.59 - 13.48 | 27 - 423000 | 12 |
1U9V, IHE | Cathepsin K | NVP-ABE854 | 1.50 - 2.13 | 6 - 10 | 2 |
1U9X, IHJ | Cathepsin K | CHEMBL188139 | 2.00 - 5.94 | 7 - 10 | 2 |
1UDT, VIA | Phosphodiesterase Type 5 (PDE5A) | Sildenafil# | 8.41 - 12.25 | 0.94 - 500 | 15 |
1UDU, CIA | Phosphodiesterase Type 5 (PDE5A) | Tadalafil | 7.57 - 12.16 | 1.00 - 164 | 17 |
1UHO, VDN | Phosphodiesterase Type 5 (PDE5A) | Vardenafil | 6.34 - 9.65 | 0.20 - 19 | 7 |
1UK0, FRM | Poly [ADP-ribose] polymerase-1 | quinazolinone analogue, 1e | 4.97 - 11.09 | 8 - 8400 | 12 |
1UK1, FRQ | Poly [ADP-ribose] polymerase-1 | quinazolidinone analogue, 2b | 5.51 - 10.97 | 8 - 8400 | 12 |
1UNL, RRC | p35 | (R)-Roscovitine | 6.07 - 9.59 | 200 - 19000 | 15 |
1UPV, 444 | Liver X Receptor beta (LXR-beta) | T0901317 | 0.82 - 6.60 | 20 - 10000 | 8 |
1UPW, 444 | Liver X Receptor beta (LXR-beta) | T0901317 | 2.48 - 7.39 | 20 - 10000 | 9 |
1UWJ, BAX | B-Raf Protein Kinase Mutant (V600E) | Hit compound, 8 | 3.95 - 8.13 | 8 - 25000 | 12 |
1UY6, PU3 | HSP90AA1 protein | Purine-Based Inhibitor 1 | 7.26 - 10.57 | 4100 - 200000 | 12 |
1UY7, PU4 | HSP90AA1 protein | Purine-Based Inhibitor 2 | 6.37 - 10.36 | 4100 - 200000 | 12 |
1UY8, PU5 | HSP90AA1 protein | Purine-Based Inhibitor 3 | 6.52 - 8.97 | 10500 - 200000 | 12 |
1UY9, PU6 | HSP90AA1 protein | Purine-Based Inhibitor 4 | 7.19 - 10.20 | 1500 - 200000 | 12 |
1UYC, PU7 | HSP90AA1 protein | Purine-Based Inhibitor 5 | 5.43 - 9.22 | 4100 - 200000 | 12 |
1UYD, PU8 | HSP90AA1 protein | Purine-Based Inhibitor 6 | 6.44 - 10.31 | 1500 - 200000 | 12 |
1UYE, PU9 | HSP90AA1 protein | Purine-Based Inhibitor 7 | 6.66 - 10.68 | 1500 - 200000 | 12 |
1UYF, PU1 | HSP90AA1 protein | Purine-Based Inhibitor 8 | 5.73 - 9.74 | 1500 - 200000 | 12 |
1UYG, PU2 | HSP90AA1 protein | CHEMBL324951 | 6.72 - 9.06 | 41000 - 200000 | 6 |
1UYH, PU0 | HSP90AA1 protein | Purine-Based Inhibitor 10 | 6.09 - 9.41 | 1500 - 200000 | 12 |
1UYK, PUX | HSP90AA1 protein | Purine-Based Inhibitor 12 | 5.48 - 9.13 | 1500 - 200000 | 12 |
1UYM, PU3 | Heat Shock Protein 90 (Hsp90) | Purine-Based Inhibitor 1 | 7.09 - 11.57 | 10500 - 200000 | 9 |
1VID, DNC | Catechol O-methyltransferase | CHEMBL168276 | 5.05 - 5.81 | 12 - 620 | 7 |
1VJ3, TAB | Dihydrofolate Reductase (DHFR) | CHEMBL55764 | 8.56 - 10.72 | 53 - 11080 | 15 |
1VJB, OHT | Estrogen-Related Receptor, gamma | 4-Hydroxytamoxifen | 6.34 - 11.22 | 5 - 1300 | 11 |
1VM1, TAZ | Beta-lactamase SHV-1 | TAZOBACTAM | 1.54 - 2.93 | 110 - 540 | 2 |
1VYW, 292 | Cyclin-dependent kinase 2 | PNU-292137 | 4.79 - 9.00 | 4 - 10000 | 15 |
1VYZ, N5B | Cyclin-dependent kinase 2 | 3-Benzamidoaminopyrazole deriv. 4 | 5.03 - 8.28 | 34 - 10000 | 14 |
1W0X, OLO | Cyclin-dependent kinase 2 | Olomoucine | 6.38 - 9.66 | 30 - 250000 | 11 |
1W2G, THM | Thymidylate kinase | thymidine | 8.33 - 8.64 | 27000 - 1140000 | 5 |
1W2H, ATM | Thymidylate kinase | CHEBI:246419 | 8.70 - 10.23 | 10000 - 45000 | 4 |
1W4O, UA3 | RNase A | CHEMBL460901 | 2.33 - 12.22 | 27 - 647000 | 13 |
1W6H, TIT | Plasmepsin 2 | Statine-like inhibitor 16 | 4.09 - 14.90 | 0.50 - 256 | 11 |
1WOK, CNQ | Poly [ADP-ribose] polymerase-1 | quinoxaline analogue, 3b | 0.82 - 7.56 | 1.00 - 131 | 11 |
1X88, NAT | Kinesin Spindle Protein Eg5 | CHEMBL254432 | 3.28 - 7.07 | 4500 - 62500 | 5 |
1X8B, 824 | WEE1 | CHEMBL214253 | 7.91 - 12.18 | 67 - 40000 | 16 |
1X8R, SC1 | 5-enolpyruvylshikimate-3-phosphate synthase | CHEBI:145958 | 9.38 - 24.04 | 15 - 90000000 | 13 |
1XBB, STI | Tyrosine Kinase Syk | Imatinib, 21 | 4.74 - 7.91 | 10000 - 10000 | 3 |
1XBC, STU | Tyrosine Kinase Syk | Staurosporine | 8.01 - 10.33 | 7 - 1000 | 4 |
1XBO, IX1 | Protein-tyrosine phosphatase 1B (PTP1B) | Isoxazole carboxylic acid analog 8 | 1.83 - 14.55 | 920 - 800000 | 9 |
1XLX, CIO | Phosphodiesterase Type 4 (PDE4B) | CHEMBL511115 | 6.91 - 9.52 | 25 - 960 | 3 |
1XLZ, FIL | Phosphodiesterase Type 4 (PDE4B) | Filaminast | 5.80 - 8.94 | 25 - 960 | 3 |
1XM4, PIL | Phosphodiesterase Type 4 (PDE4B) | Piclamilast | 6.68 - 7.08 | 0.04 - 0.84 | 2 |
1XM6, 5RM | Phosphodiesterase Type 4 (PDE4B) | (R,S)-Mesopram | 8.05 - 8.08 | 420 - 570 | 2 |
1XMU, ROF | Phosphodiesterase Type 4 (PDE4B) | Roflumilast | 5.41 - 6.95 | 0.04 - 0.84 | 2 |
1XMY, ROL | Phosphodiesterase Type 4 (PDE4B) | CHEMBL325795 | 5.76 - 7.14 | 25 - 960 | 3 |
1XN0, ROL | Phosphodiesterase Type 4 (PDE4B) | CHEMBL325795 | 5.59 - 7.08 | 25 - 960 | 4 |
1XO2, FSE | CDK6 | Fisetin, 15 | 4.25 - 6.95 | 80 - 300000 | 7 |
1XON, PIL | Phosphodiesterase Type 4 (PDE4D) | Piclamilast | 6.79 - 6.98 | 0.02 - 0.68 | 2 |
1XOQ, ROF | Phosphodiesterase Type 4 (PDE4D) | Roflumilast | 6.75 - 7.81 | 0.02 - 0.68 | 2 |
1XOS, VIA | Phosphodiesterase Type 4 (PDE4B) | Sildenafil# | 8.17 - 8.43 | 3800 - 20000 | 2 |
1XOT, VDN | Phosphodiesterase Type 4 (PDE4B) | Vardenafil | 9.39 - 10.36 | 3800 - 20000 | 2 |
1XPZ, 4TZ | Carbonic anhydrase 2 | dual aromatase-sulfatase inhibitor 4 | 2.47 - 4.95 | 27 - 1000 | 3 |
1XQ0, 4TR | Carbonic anhydrase 2 | dual aromatase-sulfatase inhibitor 7 | 2.42 - 4.16 | 27 - 1000 | 3 |
1XWS, BI1 | PIM1 | BIM-1 | 8.96 - 11.54 | 10 - 200 | 4 |
1XZX, T3 | Thyroid Hormone Receptor (TR-beta) | 3,5,3'-triiodo-L-thyronine (T3) | 6.59 - 9.72 | 0.02 - 271 | 6 |
1Y2D, 4DE | Phosphodiesterase Type 4 (PDE4D) | Pyrazole carboxylic ester 17 | 4.66 - 6.64 | 19 - 97000 | 13 |
1Y2E, 5DE | Phosphodiesterase Type 4 (PDE4D) | Pyrazole carboxylic ester 19 | 4.58 - 6.84 | 19 - 97000 | 13 |
1Y2H, 6DE | Phosphodiesterase Type 4 (PDE4B) | Pyrazole carboxylic ester 20 | 2.54 - 5.94 | 33 - 160000 | 13 |
1Y2J, 7DE | Phosphodiesterase Type 4 (PDE4B) | Pyrazole carboxylic ester 21 | 3.81 - 8.61 | 33 - 160000 | 13 |
1Y57, MPZ | Tyrosine-protein kinase SRC | CHEMBL56904 | 7.05 - 10.32 | 7800 - 100000 | 14 |
1Y6Q, TDI | Methylthioadenosine Nucleosidase(MTAN) | (3R,4S)-1-[(9-Deazaadenin-9-yl)methyl]-3-hydroxy-4-methylthiomethylpyrrolidine, 7 | 11.78 - 16.30 | 0.00 - 2 | 12 |
1Y8Y, CT7 | Cyclin-dependent kinase 2 | sulfonylphenylamino analogue 8a | 2.46 - 9.99 | 7 - 2100 | 15 |
1Y91, CT9 | Cyclin-dependent kinase 2 | pyrazolo[1,5-a]pyrimidine 9a | 7.32 - 11.52 | 2 - 2100 | 15 |
1YHS, STU | PIM1 | Staurosporine | 8.78 - 10.94 | 3 - 150 | 3 |
1YKR, 628 | Cyclin-dependent kinase 2 | aminoimidazo[1,2-a]pyridine deriv. 2i | 2.45 - 7.05 | 52 - 20000 | 15 |
1YRS, L47 | Kinesin Spindle Protein Eg5 | 3,5-diaryl-4,5-dihydropyrazole, 2 | 4.36 - 6.86 | 51 - 450 | 2 |
1YZ3, SKA | Phenylethanolamine N-Methyltransferase (PNMT) | SKF 64139 | 1.43 - 10.58 | 3 - 10000 | 15 |
1Z3N, 3NA | Aldose Reductase (ALR2) | Lidorestat | 9.41 - 11.65 | 5 - 163 | 15 |
1Z89, 62P | Aldose Reductase (ALR2) | Pyridazinone | 6.31 - 8.90 | 0.84 - 230 | 12 |
1Z8A, 62P | Aldose Reductase (ALR2) | Pyridazinone | 5.92 - 9.29 | 0.84 - 230 | 12 |
1Z9Y, FUN | Carbonic anhydrase 2 | Furosemide, 4 | 5.55 - 8.64 | 65 - 22000 | 5 |
1ZD4, NC6 | Epoxide hydratase | CHEMBL434374 | 3.62 - 9.14 | 2 - 500000 | 14 |
1ZE8, PIU | Carbonic anhydrase 2 | pyridinium deriv. 10 | 4.89 - 7.89 | 8 - 419 | 13 |
1ZFK, NR2 | Carbonic anhydrase 2 | CHEMBL78755 | 0.13 - 4.76 | 2 - 9600 | 13 |
1ZFK, SO4 | Carbonic anhydrase 2 | sulfate ion | 0.82 - 3.13 | 0.39 - 89000000 | 3 |
1ZFQ, ZEC | Carbonic anhydrase 2 | aromatic/heteroaromatic sulfonamide 19 | 0.83 - 6.55 | 1.00 - 111173173 | 13 |
1ZGE, SDA | Carbonic anhydrase 2 | halogenosulfanilamide deriv. 9 | 3.23 - 4.72 | 0.22 - 9099133 | 13 |
1ZGF, TRU | Carbonic anhydrase 2 | trichloromethiazide, 6 | 5.45 - 9.70 | 9 - 290000 | 9 |
1ZNC, SO4 | Carbonic Anhydrase IV | sulfate ion | 1.62 - 1.72 | 9000000 - 44000000 | 3 |
1ZP5, 2NI | Matrix Metalloproteinase-8 (MMP-8) | CHEMBL200435 | 9.25 - 9.64 | 120000 - 1200000 | 2 |
1ZQ5, E04 | 17-beta-Hydroxysteroid Dehydrogenase 5 (17-beta-HSD5, AKR1C3) | CHEMBL521703 | 5.10 - 12.18 | 3 - 107 | 13 |
1ZS0, EIN | Matrix Metalloproteinase-8 (MMP-8) | alpha-arylsulfonylamino phosphonate 1S | 8.60 - 10.72 | 0.37 - 810 | 14 |
1ZVX, FIN | Matrix Metalloproteinase-8 (MMP-8) | alpha-arylsulfonylamino phosphonate 1R | 10.11 - 12.51 | 0.37 - 810 | 14 |
1ZZQ, DP9 | Nitric Oxide Synthase, brain Mutant (D597N) | N omega-Nitro-L-Arginine-Containing Dipeptide, 2 | 5.61 - 7.19 | 21000 - 67000 | 3 |
2A3A, TEP | Chitinase | Theophylline (1,3-dimethylxanthine) | 1.31 - 7.63 | 4800 - 1500000 | 6 |
2A3B, CFF | Chitinase | Caffeine (1,3,7-trimethylxanthine) | 2.06 - 6.48 | 4800 - 1500000 | 6 |
2A3C, PNX | Chitinase | 1-(5-Oxohexyl)theobromine (pentoxifylline) | 5.54 - 11.26 | 4800 - 1500000 | 6 |
2A4L, RRC | Cyclin-dependent kinase 2 | (R)-Roscovitine | 6.32 - 10.28 | 30 - 250000 | 11 |
2AA9, SKM | 5-enolpyruvylshikimate-3-phosphate synthase | CHEMBL290345 | 8.32 - 16.99 | 1500 - 90000000 | 14 |
2AAY, SKM | 5-enolpyruvylshikimate-3-phosphate synthase | CHEMBL290345 | 4.09 - 16.45 | 1500 - 90000000 | 14 |
2AFW, AHN | Glutaminyl cyclase | Imidazole C-4(5) deriv. 1 | 2.16 - 5.15 | 1698 - 1530000 | 6 |
2AFX, 1BN | Glutaminyl cyclase | 1-Benzylimidazole (BI) | 2.50 - 5.44 | 262 - 174000 | 4 |
2AFZ, NVI | Glutaminyl cyclase | Imidazole N-1 deriv. 3 | 2.73 - 4.31 | 30000 - 49000 | 2 |
2AOT, SAH | Histamine N-methyltransferase | CHEMBL418052 | 12.56 - 13.23 | 10400 - 59800 | 2 |
2AQ7, TL5 | 3-oxoacyl-[acyl-carrier-protein] synthase 1 | CHEMBL382200 | 3.95 - 6.63 | 20000 - 1000000 | 12 |
2AUX, CT1 | Cathepsin K | CHEMBL113948 | 1.65 - 3.76 | 0.13 - 270 | 15 |
2AUZ, CT2 | Cathepsin K | CHEMBL117658 | 0.83 - 5.05 | 0.13 - 100 | 14 |
2AYP, 43A | Checkpoint kinase-1 (CHK1) | indolinone analog 13 | 8.22 - 12.40 | 7 - 50000 | 13 |
2AZR, 982 | Protein-tyrosine phosphatase 1B (PTP1B) | pyridothiophene inhibitor 1 | 9.37 - 11.47 | 11000 - 2500000 | 15 |
2B07, 598 | Protein-tyrosine phosphatase 1B (PTP1B) | thienobenzothiophene 29 | 9.20 - 13.01 | 0.68 - 280000 | 15 |
2B0M, 201 | Dihydroorotate Dehydrogenase (DHODH) | AMX02 | 3.90 - 8.74 | 2800 - 100000 | 7 |
2B52, D42 | Cyclin-dependent kinase 2 | C3 heterocyle indenopyrazole 8q | 5.03 - 10.24 | 4 - 36 | 15 |
2B53, D23 | Cyclin-dependent kinase 2 | 6-substituted quinazoline 51 | 3.32 - 5.05 | 545 - 12000 | 15 |
2B54, D05 | Cyclin-dependent kinase 2 | pyrazolo[3,4-d]pyrimidin-4-one deriv. 22s | 7.89 - 9.10 | 14 - 120 | 15 |
2B55, D31 | Cyclin-dependent kinase 2 | Indenopyrazole 13q | 6.64 - 11.42 | 15 - 3500 | 15 |
2B8L, 5HA | beta-Secretase (BACE-1) | L-000384950 | 12.75 - 20.93 | 10 - 4630 | 15 |
2B8V, 3BN | beta-Secretase (BACE-1) | L-000430469 | 12.05 - 20.04 | 10 - 5900 | 15 |
2BDJ, HET | Tyrosine-protein kinase SRC | 2,6,9-Trisubstitute purine, 6 (AP23464) | 3.93 - 12.34 | 0.45 - 385 | 10 |
2BGD, T1D | Protein-tyrosine phosphatase 1B (PTP1B) | CHEMBL193233 | 9.94 - 11.28 | 2470 - 132000 | 2 |
2BKT, RPF | Renin | CHEMBL434956 | 13.95 - 17.80 | 0.42 - 606 | 10 |
2BKZ, SBC | Cyclin-dependent kinase 2 | dihydro-benzodipyrazole deriv. 7a | 6.85 - 11.82 | 0.30 - 200 | 15 |
2BL9, CP6 | Dihydrofolate Reductase-Thymidylate Synthase (DHFR-TS) | Pyrimethamine (Pyr) | 4.32 - 7.26 | 0.03 - 230 | 15 |
2BLA, CP6 | Dihydrofolate Reductase-Thymidylate Synthase (DHFR-TS) Mutant SP21 | Pyrimethamine (Pyr) | 3.28 - 6.53 | 0.08 - 63 | 15 |
2BLB, CP7 | Dihydrofolate Reductase-Thymidylate Synthase (DHFR-TS) | P20 | 3.77 - 6.41 | 0.03 - 230 | 15 |
2BLC, CP7 | Dihydrofolate Reductase-Thymidylate Synthase (DHFR-TS) Mutant SP21 | P20 | 2.83 - 7.50 | 0.08 - 63 | 15 |
2BPM, 529 | Cyclin-dependent kinase 2 | 3-Aminopyrazole deriv. 27 | 2.86 - 7.31 | 11 - 10000 | 15 |
2BXV, 3FT | Dihydroorotate Dehydrogenase (DHODH) | Compound 3 | 8.35 - 10.14 | 11 - 5700 | 9 |
2C5N, CK8 | Cyclin A2 | 4-(dimethyl-1,3-thiazol-5-yl)pyrimidin-2-yl]-1-N,1-N-dimethylbenzene-1,4-diamine, 3 | 5.01 - 6.94 | 45 - 20000 | 12 |
2C5O, CK2 | Cyclin A2 | 4-(dimethyl-1,3-thiazol-5-yl)pyrimidin-2-amine, 1 | 4.08 - 7.96 | 80 - 30300 | 13 |
2C5V, CK4 | Cyclin A2 | 4-(dimethyl-1,3-thiazol-5-yl)-N-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine, 2 | 6.56 - 8.05 | 80 - 20000 | 13 |
2C68, CT6 | Cyclin-dependent kinase 2 | pyrazolo[1,5-a]pyrimidine 4 | 3.81 - 8.58 | 2 - 26000 | 3 |
2C69, CT8 | Cyclin-dependent kinase 2 | triazolo[1,5-a]pyrimidine 3 | 8.21 - 9.27 | 1800 - 26000 | 2 |
2C6I, DT1 | Cyclin-dependent kinase 2 | triazolo[1,5-a]pyrimidine 5 | 1.79 - 11.60 | 1.00 - 11000 | 14 |
2C6K, DT2 | Cyclin-dependent kinase 2 | triazolo[1,5-a]pyrimidine 11 | 6.58 - 10.11 | 7 - 730 | 9 |
2C6L, DT4 | Cyclin-dependent kinase 2 | triazolo[1,5-a]pyrimidine 14 | 3.80 - 10.99 | 7 - 7400 | 11 |
2C6M, DT5 | Cyclin-dependent kinase 2 | triazolo[1,5-a]pyrimidine 6 | 2.36 - 11.10 | 1.00 - 11000 | 15 |
2C6O, 4SP | Cyclin-dependent kinase 2 | NU6102 | 7.62 - 10.74 | 5 - 6800 | 13 |
2C6T, DT5 | Cyclin A2 | triazolo[1,5-a]pyrimidine 6 | 7.59 - 10.84 | 1.00 - 11000 | 15 |
2CBD, SO3 | Carbonic anhydrase 2 | sulfamic acid | 5.67 - 5.67 | 200 - 300000000 | 2 |
2CLX, F18 | Cyclin-dependent kinase 2 | CAN508 | 1.60 - 2.89 | 20000 - 100000 | 4 |
2CM7, IZD | Protein-tyrosine phosphatase 1B (PTP1B) | IZD 2 | 8.63 - 14.69 | 35 - 100000 | 14 |
2CM8, F16 | Protein-tyrosine phosphatase 1B (PTP1B) | IZD 1 | 3.57 - 10.01 | 65 - 3000 | 3 |
2CMA, F20 | Protein-tyrosine phosphatase 1B (PTP1B) | IZD 3 | 7.72 - 15.04 | 35 - 100000 | 14 |
2CMB, F17 | Protein-tyrosine phosphatase 1B (PTP1B) | IZD 4 | 2.61 - 12.76 | 35 - 100000 | 9 |
2CMC, DFM | Protein-tyrosine phosphatase 1B (PTP1B) | Difluoromethylphosphonic acid (DFMP) deriv. 11 | 10.55 - 16.27 | 2 - 33000 | 13 |
2CNE, DFJ | Protein-tyrosine phosphatase 1B (PTP1B) | Difluoromethylphosphonic acid (DFMP) deriv. 1 | 2.50 - 19.40 | 2 - 650000 | 12 |
2CNF, F32 | Protein-tyrosine phosphatase 1B (PTP1B) | Isothiazolidinone (IZD) deriv. 2 | 6.97 - 11.04 | 240 - 10000 | 18 |
2CNG, IZE | Protein-tyrosine phosphatase 1B (PTP1B) | Isothiazolidinone (IZD) deriv. 3 | 7.74 - 13.08 | 35 - 3200 | 13 |
2CNH, IZB | Protein-tyrosine phosphatase 1B (PTP1B) | Isothiazolidinone (IZD) deriv. 4 | 5.81 - 11.73 | 32 - 300 | 15 |
2D0T, PIM | Indoleamine 2,3-Dioxygenase | 4-Phenylimidazole | 0.99 - 4.24 | 4800 - 1800000 | 13 |
2DC6, 73V | Cathepsin B | epoxysuccinyl derivative 7 | 2.84 - 7.43 | 23 - 68000 | 13 |
2DC7, 042 | Cathepsin B | epoxysuccinyl derivative 4 | 3.20 - 8.79 | 23 - 68000 | 11 |
2DC8, 59A | Cathepsin B | epoxysuccinyl derivative 1 | 4.26 - 7.53 | 23 - 68000 | 10 |
2DC9, 74M | Cathepsin B | epoxysuccinyl derivative 6 | 0.75 - 7.33 | 23 - 68000 | 14 |
2DCA, 75V | Cathepsin B | epoxysuccinyl derivative 2 | 4.59 - 9.77 | 23 - 68000 | 12 |
2DCB, 76V | Cathepsin B | epoxysuccinyl derivative 3 | 3.85 - 9.71 | 23 - 68000 | 12 |
2DCC, 77B | Cathepsin B | epoxysuccinyl derivative 8 | 0.86 - 7.00 | 23 - 400000 | 13 |
2DCD, 78A | Cathepsin B | epoxysuccinyl derivative 5 | 4.02 - 7.91 | 23 - 68000 | 11 |
2DY5, 224 | Heme Oxygenase 1 (HO-1) | CHEMBL495072 | 3.05 - 4.43 | 700 - 21000 | 14 |
2E93, B29 | Geranylgeranyl pyrophosphate synthase | bisphosphonate, 8 | 9.60 - 10.77 | 30 - 280 | 2 |
2E95, B75 | Geranylgeranyl pyrophosphate synthase | bisphosphonate, 6 | 4.12 - 5.41 | 30 - 200 | 3 |
2E9N, 76A | Checkpoint kinase-1 (CHK1) | CHEMBL438485 | 4.09 - 10.04 | 0.24 - 10000 | 12 |
2E9O, A58 | Checkpoint kinase-1 (CHK1) | CHEMBL242737 | 3.08 - 7.75 | 6 - 10000 | 15 |
2E9P, 77A | Checkpoint kinase-1 (CHK1) | macrocyclic inhibitor 4 | 3.61 - 10.02 | 0.30 - 28 | 11 |
2E9U, A25 | Checkpoint kinase-1 (CHK1) | macrocyclic inhibitor 5a | 3.58 - 8.37 | 0.30 - 10000 | 15 |
2E9V, 85A | Checkpoint kinase-1 (CHK1) | macrocyclic inhibitor 17h | 6.09 - 8.47 | 2 - 266 | 15 |
2EGH, FOM | 1-deoxy-D-xylulose 5-phosphate reductoisomerase (DXR) | CHEMBL203125 | 6.46 - 7.82 | 20 - 4000000 | 6 |
2ETM, 7PY | Tyrosine Kinase FAK | CHEMBL205098 | 6.28 - 10.10 | 4 - 10000 | 15 |
2EWP, TXF | Estrogen-Related Receptor, gamma | GSK 5182 | 10.78 - 13.17 | 10 - 1300 | 8 |
2F1O, DTC | Quinone Reductase 1 | CHEMBL43154 | 1.13 - 5.13 | 0.18 - 82000 | 9 |
2F6T, 1C2 | Protein-tyrosine phosphatase 1B (PTP1B) | Tetrahydroisoquinoline (TIQ) deriv. 3 | 10.11 - 12.07 | 4800 - 500000 | 14 |
2F6Z, UN5 | Protein-tyrosine phosphatase 1B (PTP1B) | Tetrahydroisoquinoline (TIQ) deriv. 10i | 4.02 - 13.75 | 2500 - 285700 | 14 |
2F70, UN6 | Protein-tyrosine phosphatase 1B (PTP1B) | benzyl amine deriv. 11 | 2.29 - 13.25 | 33500 - 224800 | 7 |
2F71, UN7 | Protein-tyrosine phosphatase 1B (PTP1B) | Tetrahydroisoquinoline (TIQ) deriv. 10j | 10.77 - 14.59 | 2500 - 285700 | 15 |
2F7O, MSN | Golgi alpha-mannosidase II | CHEMBL9623 | 8.23 - 8.45 | 36 - 76 | 2 |
2F94, BFQ | Farnesyl diphosphate synthase | Bisphosphonate 2 | 8.16 - 11.78 | 1.00 - 8450 | 12 |
2FJN, 073 | Protein-tyrosine phosphatase 1B (PTP1B) | benzotriazole phenyldifluoromethylphosphonic acid compound 1 | 6.10 - 15.55 | 3 - 8040 | 10 |
2FKY, N2T | Kinesin Spindle Protein Eg5 | dihydropyrrole, 13 | 6.58 - 11.09 | 2 - 123 | 15 |
2FL2, N4T | Kinesin Spindle Protein Eg5 | dihydropyrrole, 19 | 4.86 - 8.52 | 0.50 - 4000 | 15 |
2FL6, N5T | Kinesin Spindle Protein Eg5 | dihydropyrrole, 6 | 4.84 - 9.72 | 2 - 4000 | 15 |
2FME, 3QC | Kinesin Spindle Protein Eg5 | tetrahydroisoquinoline (THIQ), 32 | 5.32 - 9.50 | 104 - 25000 | 15 |
2FOI, JPA | Enoyl-ACP Reductase (PfENR) | Triclosan derivative, 15 | 2.35 - 5.32 | 49 - 33000 | 11 |
2FPT, ILB | Dihydroorotate Dehydrogenase (DHODH) | Compound 4 | 10.45 - 11.71 | 11 - 1700 | 9 |
2FPV, ILC | Dihydroorotate Dehydrogenase (DHODH) | Biphenyl-4-ylcarbamoyl Thiophene Analog 5 | 7.29 - 11.68 | 1.00 - 1000 | 15 |
2FPY, ILF | Dihydroorotate Dehydrogenase (DHODH) | Compound 7 | 8.51 - 12.03 | 1.00 - 1000 | 15 |
2FS8, C3A | Tryptase | CRA25 | 5.58 - 9.85 | 3 - 590 | 8 |
2FS9, C4A | Tryptase | CRA23 | 7.90 - 11.21 | 3 - 590 | 8 |
2FVD, LIA | Cyclin-dependent kinase 2 | R547 | 8.80 - 11.39 | 2 - 10000 | 14 |
2FXR, C3A | Tryptase | CRA25 | 9.85 - 12.29 | 3 - 590 | 8 |
2G19, 4HG | Egl nine homolog 1 | CHEMBL509064 | 7.08 - 9.84 | 80 - 100000 | 5 |
2G1M, 4HG | Egl nine homolog 1 | CHEMBL509064 | 4.55 - 9.65 | 80 - 100000 | 5 |
2G1O, 2IG | Renin | diaminopyrimidine renin inhibitor compound, 4 | 8.82 - 11.85 | 58 - 6560 | 11 |
2G1R, 3IG | Renin | 1,4-benzoxazin-3-one, 20 | 7.83 - 13.06 | 0.80 - 1040 | 14 |
2G1S, 4IG | Renin | 1,4-benzoxazin-3-one, 17 | 5.95 - 13.91 | 7 - 1080 | 13 |
2G1Y, 5IG | Renin | 1,4-benzoxazin-3-one, 19 | 8.69 - 11.95 | 20 - 3900 | 15 |
2G24, 7IG | Renin | diaminopyrimidine renin inhibitor compound, 1 | 10.07 - 12.66 | 58 - 27000 | 13 |
2G70, HNT | Phenylethanolamine N-Methyltransferase (PNMT) | CHEMBL59441 | 6.41 - 9.71 | 16 - 4400 | 11 |
2G71, FTS | Phenylethanolamine N-Methyltransferase (PNMT) | 7-sulfonamide-THIQ 18 | 7.06 - 11.16 | 28 - 66000 | 9 |
2G72, F21 | Phenylethanolamine N-Methyltransferase (PNMT) | CHEMBL177749 | 8.88 - 9.64 | 560 - 36000 | 5 |
2G8N, F83 | Phenylethanolamine N-Methyltransferase (PNMT) | 7-sulfonamide-THIQ 15 | 8.25 - 11.14 | 39 - 890000 | 7 |
2GD8, PO1 | Carbonic anhydrase 2 | oestrogen deriv. 11 | 0.71 - 4.89 | 9 - 526 | 11 |
2GH5, ELI | Glutathione reductase | CHEMBL135287 | 3.45 - 6.56 | 500 - 27000 | 4 |
2GNH, H52 | cAMP-Dependent Protein Kinase (PKA) Mutant PKAR5 | H-1152P | 5.65 - 8.00 | 149 - 2280 | 2 |
2GNI, M77 | cAMP-Dependent Protein Kinase (PKA) Mutant PKAR5 | Fasudil (HA-1077) | 7.84 - 8.91 | 149 - 2280 | 2 |
2GNL, H52 | cAMP-Dependent Protein Kinase (PKA) Mutant PKAR3 | H-1152P | 6.45 - 8.15 | 58 - 870 | 2 |
2GPV, OHT | Estrogen-Related Receptor, gamma | 4-Hydroxytamoxifen | 11.57 - 14.96 | 5 - 1300 | 11 |
2GSS, EAA | Glutathione S-transferase Pi | CHEMBL456 | 0.59 - 6.36 | 31 - 40000 | 14 |
2GV6, 730 | Matriptase | 3-amidinophenylalanine deriv., 8 | 7.26 - 10.80 | 9 - 340 | 15 |
2H15, B19 | Carbonic anhydrase 2 | Topiramate Sulfamide Analogue 8 | 8.38 - 10.08 | 24 - 100000 | 3 |
2H42, VIA | Phosphodiesterase Type 5 (PDE5A) | Sildenafil# | 7.87 - 12.77 | 0.94 - 500 | 15 |
2H44, 7CA | Phosphodiesterase Type 5 (PDE5A) | Icarisid II | 10.43 - 16.27 | 160 - 1700 | 3 |
2H4G, 694 | Protein-tyrosine phosphatase 1B (PTP1B) | Monocyclic thiophene analog 17 | 7.77 - 10.18 | 250 - 9000 | 15 |
2H4K, 509 | Protein-tyrosine phosphatase 1B (PTP1B) | Monocyclic thiophene analog 11 | 7.36 - 10.11 | 300 - 9000 | 15 |
2H7I, 566 | Enoyl-ACP Reductase (InhA) | Pyrrolidine Carboxamide Compound s1 | 2.82 - 6.52 | 1350 - 100000 | 10 |
2H7L, 665 | Enoyl-ACP Reductase (InhA) | Pyrrolidine Carboxamide Compound s4 | 3.04 - 6.76 | 850 - 100000 | 10 |
2H7M, 641 | Enoyl-ACP Reductase (InhA) | Pyrrolidine Carboxamide Compound d11 | 1.26 - 6.12 | 390 - 100000 | 10 |
2H7N, 744 | Enoyl-ACP Reductase (InhA) | Pyrrolidine Carboxamide Compound d3 | 2.58 - 6.08 | 390 - 100000 | 9 |
2H7P, 468 | Enoyl-ACP Reductase (InhA) | Pyrrolidine Carboxamide Compound d8 | 1.65 - 6.61 | 390 - 100000 | 13 |
2H8H, H8H | Tyrosine-protein kinase SRC | AZD0530 | 8.40 - 12.35 | 1.00 - 100 | 15 |
2HA0, CHH | Acetylcholinesterase (AChE) | CHEMBL136916 | 2.95 - 5.58 | 3500 - 23000 | 2 |
2HB1, 512 | Protein-tyrosine phosphatase 1B (PTP1B) | Monocyclic thiophene analog 2 | 5.61 - 11.27 | 300 - 2500000 | 15 |
2HBT, UN9 | Egl nine homolog 1 | CHEMBL426560 | 5.41 - 9.07 | 80 - 35000 | 4 |
2HBU, UN9 | Egl nine homolog 1 | CHEMBL426560 | 4.77 - 8.80 | 80 - 100000 | 5 |
2HD6, BOS | Carbonic anhydrase 2 | reduced thio H5a | 3.73 - 6.83 | 9 - 4975 | 14 |
2HK5, 1BM | HCK | CHEMBL434369 | 0.91 - 3.93 | 69 - 378 | 2 |
2HNC, 1SA | Carbonic anhydrase 2 | aromatic/heteroaromatic sulfonamide 13 | 2.61 - 5.78 | 3 - 60000 | 11 |
2HNX, PLM | Fatty acid binding protein adipocyte | CHEMBL82293 | 8.99 - 10.17 | 336 - 83000 | 3 |
2HOC, 1CN | Carbonic anhydrase 2 | aminobenzolamide 18 | 3.84 - 4.87 | 0.20 - 2000 | 11 |
2HOG, 710 | Checkpoint kinase-1 (CHK1) | 3-(Indol-2-yl)indazole 21 | 5.13 - 6.72 | 0.11 - 530 | 12 |
2HQU, DUP | dUTP pyrophosphatase | CHEMBL1232397 | 5.18 - 16.99 | 300 - 1000000 | 14 |
2HWP, DJK | Src Mutant (S345C) | 4-anilinoquinazoline deriv. 2 | 1.06 - 3.27 | 236 - 6400 | 3 |
2HXL, 422 | Checkpoint kinase-1 (CHK1) | CHEMBL221181 | 3.88 - 8.60 | 0.25 - 640 | 15 |
2HXQ, 373 | Checkpoint kinase-1 (CHK1) | CHEMBL221735 | 7.25 - 8.94 | 0.65 - 580 | 11 |
2HY0, 306 | Checkpoint kinase-1 (CHK1) | CHEMBL374662 | 6.59 - 9.44 | 0.65 - 190 | 10 |
2HYY, STI | ABL1(Y253F) | Imatinib, 21 | 11.59 - 15.55 | 1.00 - 11000 | 3 |
2I3I, 618 | ML-IAP-BIR | peptide isostere, 8 | 2.15 - 9.90 | 50 - 4190 | 3 |
2I4J, DRJ | Peroxisome Proliferator-Activated Receptor gamma | LT160 (ureidofibrate derivative), (R)-1 | 11.50 - 15.31 | 88 - 1978 | 2 |
2I4P, DRH | Peroxisome Proliferator-Activated Receptor gamma | LT127 (ureidofibrate derivative), (S)-1 | 9.08 - 9.98 | 88 - 1978 | 2 |
2I4Q, UA4 | Renin | 1,4-benzoxazin-3-one, 25 | 4.39 - 12.20 | 7 - 890 | 9 |
2I4Z, DRH | Peroxisome Proliferator-Activated Receptor gamma | LT127 (ureidofibrate derivative), (S)-1 | 13.90 - 14.04 | 88 - 1978 | 2 |
2IEH, MOY | Kinesin Spindle Protein Eg5 | CHEMBL522806 | 3.60 - 9.38 | 110 - 82300 | 14 |
2IKG, BTO | Aldose Reductase (ALR2) | BTB02809 | 8.00 - 10.36 | 530 - 17700 | 3 |
2INE, PAC | Aldose reductase | Phenylacetate, XIX | 1.68 - 5.63 | 1000 - 96000 | 5 |
2INZ, OHP | Aldose reductase | 2-Hydroxyphenylacetic acid | 2.26 - 4.63 | 3500 - 96000 | 3 |
2IPW, 2CL | Aldose Reductase (ALR2) Mutant (C298A/W219Y) | 2,6-Dichlorophenylacetic acid | 4.16 - 5.55 | 1000 - 360000 | 10 |
2IQ0, 6NA | Aldose reductase | Aldehydes, C6 | 5.58 - 5.86 | 1000 - 68200 | 2 |
2IRZ, I02 | beta-Secretase (BACE-1) | L-001233771 | 12.90 - 17.32 | 10 - 16500 | 15 |
2IS0, I03 | beta-Secretase (BACE-1) | L-001151442 | 11.23 - 17.40 | 10 - 12500 | 15 |
2ISF, PAC | Aldose Reductase (ALR2) Mutant (C298A/W219Y) | Phenylacetate, XIX | 1.82 - 4.95 | 1000 - 360000 | 10 |
2IWS, NP4 | Heat Shock Protein 90 (Hsp90) | Microlactone, 15f cis | 0.00 - 4.95 | 100 - 100000 | 12 |
2IWU, NP5 | Heat Shock Protein 90 (Hsp90) | Microlactone, 15f trans | 0.19 - 6.08 | 100 - 100000 | 10 |
2JBO, P4O | MAPK-Activated Protein Kinase 2 (MK2) | Pyrrolopyridine, 16 | 1.84 - 7.64 | 30 - 8900 | 13 |
2JBP, P4O | MAPK-Activated Protein Kinase 2 (MK2) | Pyrrolopyridine, 16 | 0.65 - 8.61 | 30 - 8900 | 11 |
2JDO, I5S | Protein kinase B (Akt 2) | CCT077373 | 8.95 - 12.80 | 210 - 12000 | 15 |
2JFF, LK2 | MurD | naphthalene-N-sulfonyl-D-glu derivative, 17c | 8.35 - 12.35 | 170000 - 2000000 | 13 |
2JFH, LK1 | MurD | naphthylsulfonamide, 20 | 6.61 - 10.02 | 132000 - 2000000 | 14 |
2JLE, I15 | HIV-1 Reverse Transcriptase RNase H | Indazole Derivative, 6 | 6.85 - 9.85 | 25 - 30000 | 8 |
2KCE, D16 | Thymidylate synthase | RTX | 6.92 - 9.94 | 5 - 57000 | 5 |
2NNG, ZYX | Carbonic anhydrase 2 | aromatic/heteroaromatic sulfonamide 6 | 3.64 - 5.68 | 5 - 500034535 | 15 |
2NNO, M28 | Carbonic anhydrase 2 | sulfonamide, 3 | 3.43 - 5.82 | 0.05 - 500034535 | 11 |
2NP8, CC3 | Aurora kinase A | CHEMBL383899 | 3.78 - 7.32 | 13 - 10000 | 12 |
2NSD, 4PI | Enoyl-ACP Reductase (InhA) | piperidine, b3 | 4.66 - 7.12 | 1890 - 100000 | 13 |
2NVC, ITA | Aldose Reductase (ALR2) | naphtho[1,2-d]isothiazole acetic acid deriv. 3 | 2.85 - 9.47 | 140 - 190000 | 8 |
2NVD, ITB | Aldose Reductase (ALR2) | naphtho[1,2-d]isothiazole acetic acid deriv. 2 | 5.84 - 9.00 | 140 - 190000 | 8 |
2O3P, QUE | PIM1 | Quercetin | 4.68 - 6.62 | 340 - 8300 | 15 |
2O63, MYC | PIM1 | Myricetin, 17 | 2.86 - 6.51 | 340 - 8300 | 15 |
2O64, MYU | PIM1 | Quercetagetin | 4.75 - 6.57 | 340 - 8300 | 14 |
2O65, MYF | PIM1 | 5,7,3,4,5-pentahydroxyflavone | 3.90 - 5.21 | 340 - 22000 | 14 |
2OBJ, VRV | PIM1 | pyridone-based compound, 1 | 3.42 - 5.56 | 50 - 20000 | 13 |
2OHM, 8AP | beta-Secretase (BACE-1) | 3-Substituted 2-Aminopyridine 5 | 4.33 - 5.66 | 9100 - 310000 | 5 |
2OHP, 6IP | beta-Secretase (BACE-1) | 6-Substituted 2-Aminopyridine 3 | 5.61 - 6.53 | 9100 - 2000000 | 3 |
2OHQ, 7IP | beta-Secretase (BACE-1) | 6-Substituted 2-Aminopyridine 4 | 3.66 - 6.94 | 25000 - 2000000 | 3 |
2OHR, 8IP | beta-Secretase (BACE-1) | 3-Substituted 2-Aminopyridine 6a | 4.84 - 7.66 | 690 - 310000 | 6 |
2OHS, 9IP | beta-Secretase (BACE-1) | 3-Substituted 2-Aminopyridine 6b | 1.39 - 8.59 | 690 - 310000 | 8 |
2OHT, IP6 | beta-Secretase (BACE-1) | 3-Substituted 2-Aminopyridine 7 | 4.40 - 10.23 | 690 - 310000 | 8 |
2OHU, IP7 | beta-Secretase (BACE-1) | 3-Substituted 2-Aminopyridine 8b | 5.04 - 10.63 | 690 - 40000 | 5 |
2OI0, 283 | TNF-alpha-Converting Enzyme | thiol-arylsulfonamide, 4c | 5.88 - 8.48 | 5 - 3400 | 11 |
2ONY, TMJ | Phenylethanolamine N-Methyltransferase (PNMT) | CHEMBL286497 | 6.05 - 9.83 | 39 - 890000 | 6 |
2OO8, RAJ | Tie-2 | pyridinyl pyrimidine 39 | 2.98 - 12.00 | 1.00 - 1220 | 13 |
2OPP, HBQ | HIV-1 Reverse Transcriptase RNase H | GW420867X | 0.30 - 8.76 | 108 - 1142 | 9 |
2OSC, MUH | Tie-2 | CHEMBL245549 | 2.29 - 10.31 | 1.00 - 10000 | 12 |
2P3G, F10 | MAPK-Activated Protein Kinase 2 (MK2) | Pyrrolopyridine, 23 | 4.40 - 6.12 | 30 - 8900 | 15 |
2P4I, MR9 | Tie-2 | pyridinyl pyrimidine 47 | 1.61 - 15.08 | 1.00 - 2700 | 15 |
2P7G, 2OH | Estrogen-Related Receptor, gamma | Bisphenol A (BPA) | 3.80 - 6.85 | 13 - 10000 | 3 |
2P7Z, OHT | Estrogen-Related Receptor, gamma | 4-Hydroxytamoxifen | 10.48 - 13.16 | 5 - 1300 | 11 |
2PG2, K01 | Kinesin Spindle Protein Eg5 | thiophene containing compound, 15 | 4.10 - 5.72 | 480 - 69000 | 14 |
2PH6, 712 | beta-Secretase (BACE-1) | tertiary carbinamine derived inhibitor 7 | 10.89 - 16.43 | 15 - 12500 | 14 |
2PMN, K51 | Putative uncharacterized protein pk7 | CHEMBL495709 | 7.23 - 9.54 | 220 - 111000 | 14 |
2POU, I7A | Carbonic anhydrase 2 | Sulfonamide, 4 | 3.20 - 6.82 | 13 - 35727284 | 9 |
2POV, I7B | Carbonic anhydrase 2 | aromatic/heteroaromatic sulfonamide 12 | 3.96 - 8.44 | 9 - 35727284 | 10 |
2POW, I7C | Carbonic anhydrase 2 | aromatic/heteroaromatic sulfonamide 11 | 4.87 - 5.55 | 63 - 63000 | 2 |
2PZY, B18 | MAPK-Activated Protein Kinase 2 (MK2) | carboline analog, 76 | 7.90 - 11.09 | 10 - 250 | 12 |
2Q1B, LSA | Carbonic anhydrase 2 | Saccharin | 0.76 - 5.80 | 12 - 5950000 | 9 |
2Q1Q, OSP | Carbonic anhydrase 2 | Sulthiame, 2 | 3.21 - 6.39 | 8 - 9000 | 8 |
2Q2Y, MKR | Kinesin Spindle Protein Eg5 | dihydropyrazolobenzoxazine, 1 | 8.24 - 11.23 | 0.40 - 800 | 14 |
2Q2Z, MKK | Kinesin Spindle Protein Eg5 | 1,4-diaryl-4,5-dihydropyrazole, 22 | 5.23 - 10.56 | 0.20 - 5 | 5 |
2Q38, LSA | Carbonic anhydrase 2 | Saccharin | 4.37 - 5.78 | 12 - 5950000 | 8 |
2Q8Z, NUP | Orotidine Monophosphate Decarboxylase (ODCase) | C6-Uridine Derivative, 15 | 8.92 - 14.90 | 1000 - 10000000 | 9 |
2QBP, 527 | Protein-tyrosine phosphatase 1B (PTP1B) | CHEMBL541214 | 12.22 - 14.27 | 1.00 - 2000 | 15 |
2QBQ, 4B3 | Protein-tyrosine phosphatase 1B (PTP1B) | CHEMBL243942 | 9.50 - 12.86 | 3 - 3800 | 15 |
2QBR, 910 | Protein-tyrosine phosphatase 1B (PTP1B) | CHEMBL243731 | 9.24 - 12.18 | 26 - 3800 | 15 |
2QBS, 024 | Protein-tyrosine phosphatase 1B (PTP1B) | CHEMBL243940 | 11.18 - 15.36 | 7 - 3800 | 15 |
2QLQ, SR2 | Src Mutant (S345C) | 4-anilinoquinazoline deriv. 16a | 6.80 - 7.87 | 236 - 6400 | 3 |
2QNB, BZD | Glycogen Phosphorylase (PYGM) | CHEMBL489799 | 3.37 - 7.55 | 350 - 370000 | 5 |
2QO8, 3CC | Carbonic anhydrase 2 | Indanesulfonamide Derivative 12a | 3.16 - 5.16 | 0.90 - 128 | 10 |
2QOA, MAJ | Carbonic anhydrase 2 | CHEMBL364869 | 3.80 - 6.57 | 0.90 - 186 | 9 |
2QQ7, SR2 | Src Mutant (S345C/T338M) | 4-anilinoquinazoline deriv. 16a | 3.77 - 4.80 | 2810 - 50000 | 3 |
2QRG, M07 | Glycogen Phosphorylase (PYGM) | glucopyranosylidene-spiro-isoxazoline, 4a | 10.53 - 11.89 | 630 - 92500 | 5 |
2QRH, M08 | Glycogen Phosphorylase (PYGM) | glucopyranosylidene-spiro-isoxazoline, 4c | 11.18 - 12.94 | 630 - 92500 | 5 |
2QU5, 276 | VEGFR-2 (KDR) | 2-aminobenzimidazole, 3 | 7.75 - 15.22 | 0.20 - 287 | 15 |
2QU6, 857 | VEGFR-2 (KDR) | 2-aminobenzoxazole, 22 | 6.97 - 13.22 | 0.50 - 12 | 15 |
2QWL, ADP | heat shock 70kDa protein 8 isoform 1 | Adenosine Diphosphate (ADP) | 8.97 - 18.02 | 110 - 17300 | 4 |
2QWM, ADP | heat shock 70kDa protein 8 isoform 1 | Adenosine Diphosphate (ADP) | 8.87 - 16.88 | 110 - 17300 | 4 |
2QWX, ML1 | Quinone reductase 2 | MELATONIN | 1.13 - 2.50 | 3 - 53900 | 5 |
2QX4, ML1 | Quinone reductase 2 | MELATONIN | 1.50 - 3.70 | 3 - 53900 | 5 |
2QX6, ML1 | Quinone reductase 2 | MELATONIN | 2.34 - 5.45 | 3 - 53900 | 5 |
2QX9, ML2 | Quinone reductase 2 | 2-Iodomelatonin | 1.17 - 2.61 | 0.09 - 1100 | 5 |
2QZL, IXS | beta-Secretase (BACE-1) | psi[CH2NH] reduced amide isostere, 4b | 8.72 - 23.24 | 4 - 17200 | 14 |
2R0U, M54 | Checkpoint kinase-1 (CHK1) | CHEMBL249441 | 4.76 - 9.62 | 2 - 9 | 6 |
2R24, LDT | Aldose reductase | IDD 594 | 8.84 - 9.17 | 7 - 176 | 3 |
2RCW, AAI | Poly [ADP-ribose] polymerase-1 | A-620223 | 6.67 - 11.19 | 3 - 59 | 14 |
2TCL, RO4 | Matrix Metalloproteinase-1 (MMP-1) | CHEMBL92608 | 6.11 - 14.40 | 11 - 4360 | 13 |
2TSR, D16 | Thymidylate synthase | RTX | 6.27 - 6.97 | 360 - 900 | 2 |
2UUO, LK3 | MurD | naphthalene-N-sulfonyl-D-glu derivative, 17d | 6.31 - 10.64 | 132000 - 2000000 | 14 |
2UUP, LK4 | MurD | naphthalene-N-sulfonyl-D-glu derivative, 17o | 6.75 - 9.98 | 85000 - 1000000 | 11 |
2UW9, GVP | Protein kinase B (Akt 2) | pyrazole-based inhibitor 9 | 6.28 - 10.17 | 18 - 5200 | 9 |
2UYI, K02 | Kinesin Spindle Protein Eg5 | thiophene containing compound, 33 | 2.85 - 5.29 | 480 - 69000 | 15 |
2UYM, K03 | Kinesin Spindle Protein Eg5 | thiophene containing compound, 37 | 4.33 - 7.44 | 480 - 69000 | 15 |
2UZB, C75 | Cyclin A2 | 2-imino-thiazolidin-4-one analog, 6 | 3.61 - 7.73 | 30 - 150000 | 12 |
2UZD, C85 | Cyclin A2 | 2-imino-thiazolidin-4-one analog, 1 | 3.71 - 8.15 | 30 - 150000 | 9 |
2UZE, C95 | Cyclin A2 | 2-imino-thiazolidin-4-one analog, 4 | 4.39 - 7.12 | 30 - 150000 | 11 |
2UZL, C94 | Cyclin A2 | 2-imino-thiazolidin-4-one analog, 11 | 3.26 - 7.84 | 30 - 150000 | 12 |
2UZN, C96 | Cyclin-dependent kinase 2 | 2-imino-thiazolidin-4-one analog, 13 | 4.28 - 7.99 | 30 - 150000 | 12 |
2UZO, C62 | Cyclin-dependent kinase 2 | thiazolidine-2,4-dione, 14 | 4.27 - 8.80 | 30 - 150000 | 12 |
2V0Z, C41 | Renin | Aliskiren | 14.56 - 18.08 | 0.40 - 7 | 19 |
2V10, C61 | Renin | Renin nonpeptide inhibitor, 9 | 9.53 - 13.95 | 0.70 - 120 | 14 |
2V11, C80 | Renin | Renin nonpeptide inhibitor, 6 | 13.12 - 14.26 | 1.00 - 3 | 2 |
2V12, C39 | Renin | Renin nonpeptide inhibitor, 8 | 3.33 - 19.19 | 0.30 - 670 | 13 |
2V13, C40 | Renin | Renin nonpeptide inhibitor, 7 | 9.70 - 15.82 | 0.30 - 670 | 14 |
2V8X, MGQ | Eukaryotic translation initation factor | CHEMBL1094975 | 7.65 - 11.02 | 28 - 85400 | 14 |
2VB8, TLM | 3-oxoacyl-[acyl-carrier-protein] synthase 1 | CHEMBL399043 | 3.87 - 8.73 | 20000 - 1000000 | 12 |
2VC2, 180 | Integrin alpha-IIb | CHEMBL78760 | 7.89 - 12.61 | 0.02 - 410 | 15 |
2VDM, AGG | Integrin alpha-IIb | CHEBI:9605 | 9.43 - 13.07 | 15 - 330000 | 14 |
2VJ7, VG6 | beta-Secretase (BACE-1) | hydroxyethylamine derivative, 6 | 16.23 - 18.05 | 3 - 380 | 14 |
2VJX, IFL | Beta-mannosidase | cid_854894 | 8.87 - 11.85 | 975 - 9000000 | 4 |
2VNM, CM8 | beta-Secretase (BACE-1) | sultam hydroxyethylamine (HEA) derivative, 1 | 14.57 - 17.16 | 2 - 140 | 15 |
2VNN, CM7 | beta-Secretase (BACE-1) | tricyclic hydroxyethylamine (HEA) derivative, 8a | 15.98 - 19.59 | 2 - 73 | 15 |
2VNT, QGG | Urokinase (uPA) | cyclic deriv. 33 | 7.66 - 10.41 | 3 - 160 | 16 |
2VO5, VBZ | Beta-mannosidase | (1R,4R,5R,7R,8R)-2-Benzyl-5-(hydroxymethyl)-2-azabicyclo[2.2.2]octane-4,7,8-triol, 4a | 5.22 - 11.91 | 13000 - 23000000 | 3 |
2VTD, LKM | MurD | naphthalene-N-sulfonyl-D-glu derivative, 17n | 8.73 - 12.49 | 85000 - 1000000 | 15 |
2VTI, LZ3 | Cyclin-dependent kinase 2 | indazole amide, 14 | 2.26 - 6.31 | 0.30 - 97000 | 11 |
2VTJ, LZ4 | Cyclin-dependent kinase 2 | 4-[(6-chloropyrazin-2-yl)amino]benzenesulfonamide, 10 | 4.03 - 6.57 | 1900 - 7000 | 2 |
2VTL, LZ5 | Cyclin-dependent kinase 2 | pyrazole amide, 15 | 0.23 - 4.89 | 3 - 97000 | 10 |
2VTN, LZ7 | Cyclin-dependent kinase 2 | pyrazole amide, 18 | 5.17 - 7.41 | 3 - 97000 | 15 |
2VTO, LZ8 | Cyclin-dependent kinase 2 | pyrazole diamide, 22 | 4.50 - 8.43 | 3 - 85000 | 15 |
2VTP, LZ9 | Cyclin-dependent kinase 2 | pyrazole diamide, 23 | 2.87 - 8.42 | 3 - 85000 | 14 |
2VTQ, LZA | Cyclin-dependent kinase 2 | pyrazole diamide, 28 | 3.08 - 9.18 | 3 - 1600 | 15 |
2VTR, LZB | Cyclin-dependent kinase 2 | pyrazolo[1,5-a]pyrimidine-3-carbonitrile, 11 | 4.28 - 7.91 | 7 - 2000 | 5 |
2VTS, LZC | Cyclin-dependent kinase 2 | pyrazolo[1,5-a]pyrimidine-3-carbonitrile, 12 | 2.49 - 11.34 | 4 - 2100 | 10 |
2VTT, LZD | Cyclin-dependent kinase 2 | pyrazole diamide, 29 | 4.85 - 9.29 | 3 - 1600 | 15 |
2VU3, LZE | Cyclin-dependent kinase 2 | AT7519 | 5.43 - 9.04 | 3 - 1600 | 14 |
2VVA, SO4 | Carbonic anhydrase 2 | sulfate ion | 1.92 - 2.14 | 200 - 300000000 | 3 |
2VVB, BCT | Carbonic anhydrase 2 | bicarbonate ion | 7.64 - 7.65 | 73000000 - 73000000 | 2 |
2W0J, ZAT | Checkpoint Kinase (Chk2) | NSC 109555 | 3.77 - 9.68 | 200 - 20000 | 6 |
2W1D, L0D | Aurora kinase A | pyrazole-benzimidazole, 16 | 5.85 - 7.73 | 6 - 910 | 5 |
2W1E, L0E | Aurora kinase A | pyrazole-benzimidazole urea analogue, 10 | 2.50 - 5.71 | 2 - 70 | 12 |
2W1G, L0G | Aurora kinase A | pyrazole-benzimidazole urea analogue, 16 | 4.66 - 7.70 | 2 - 70 | 7 |
2W2I, PD2 | Lysine-specific demethylase 4D-like | pyridine carboxylate, 6a | 2.75 - 8.53 | 1400 - 10000000 | 6 |
2W6N, OA2 | Biotin Carboxylase | amino-oxazole, 2c | 9.82 - 11.62 | 7 - 1290 | 3 |
2W70, L22 | Biotin Carboxylase | amino pyrimidine, 6a | 8.41 - 9.26 | 12000 - 59300 | 2 |
2WD1, ZZY | Hepatocyte growth factor receptor | CHEMBL561660 | 5.46 - 9.14 | 11 - 5670 | 15 |
2WD3, MS4 | Carbonic anhydrase 2 | CHEMBL592131 | 5.94 - 6.56 | 22 - 86 | 2 |
2WD7, VGD | Pteridine Reductase 1 (PTR1) | 2-aminobenzimidazole deriv., 4 | 2.72 - 3.04 | 10600 - 288000 | 2 |
2WD8, VGF | Pteridine Reductase 1 (PTR1) | 2-aminobenzimidazole deriv., 12 | 4.05 - 6.05 | 7 - 510 | 4 |
2WEJ, FB2 | Carbonic anhydrase 2 | benzenesulfonamide | 1.78 - 4.79 | 21 - 3388442 | 8 |
2WEY, EV1 | Phosphodiesterase 10A1 | Papaverine | 4.79 - 7.51 | 17 - 500 | 12 |
2WF0, ZY0 | beta-Secretase (BACE-1) | hydroxyethylamine derivative, 22 | 14.10 - 17.30 | 2 - 420 | 15 |
2WF1, ZY1 | beta-Secretase (BACE-1) | 7,6,5 tricyclic sulfonamide, 22 | 15.57 - 19.36 | 2 - 73 | 16 |
2WHO, VGI | HCV NS5B Polymerase | 1H-benzo[de]isoquinoline-1,3(2H)-dione, 1 | 1.88 - 5.63 | 14 - 50000 | 15 |
2WIH, P48 | Cyclin-dependent kinase 2 | pyrazolo[4,3-h]quinazoline-3-carboxamide, 28 | 7.37 - 13.58 | 1.00 - 363 | 15 |
2WMU, ZYU | Checkpoint kinase-1 (CHK1) | purine, 9 | 6.90 - 9.57 | 880 - 9200 | 4 |
2WMV, ZYV | Checkpoint kinase-1 (CHK1) | purine, 10 | 5.09 - 7.19 | 430 - 9200 | 7 |
2WMW, ZYW | Checkpoint kinase-1 (CHK1) | pyrazolopyridine, 12 | 7.06 - 8.58 | 290 - 1200 | 6 |
2WMX, ZY6 | Checkpoint kinase-1 (CHK1) | pyrazolopyridine, (S)-14 | 4.69 - 8.40 | 290 - 3200 | 9 |
2WOG, ZZD | Kinesin Spindle Protein Eg5 | S-Trityl-L-Cysteine (STLC), 1 | 7.65 - 10.98 | 14 - 63000 | 16 |
2WTC, VGM | Checkpoint Kinase (Chk2) | CHEMBL600441 | 7.74 - 9.97 | 270 - 4400 | 14 |
2WTD, ZZK | Checkpoint Kinase (Chk2) | CHEMBL590335 | 7.66 - 9.29 | 270 - 4400 | 14 |
2WTI, WTI | Checkpoint Kinase (Chk2) | CHEMBL602931 | 5.00 - 10.25 | 310 - 10000 | 11 |
2WTJ, WTJ | Checkpoint Kinase (Chk2) | CHEMBL598973 | 6.17 - 9.01 | 700 - 3600 | 3 |
2WWJ, Y28 | Lysine-specific demethylase 4A | CHEMBL591689 | 11.01 - 12.43 | 10000 - 33000 | 8 |
2X6E, YM4 | Aurora kinase A | CHEMBL1236904 | 1.94 - 9.33 | 2 - 365 | 14 |
2X7S, WZC | Carbonic anhydrase 2 | CHEMBL374721 | 1.26 - 5.10 | 5 - 11700 | 12 |
2X7T, WZB | Carbonic anhydrase 2 | CHEMBL425287 | 0.15 - 4.49 | 5 - 526 | 12 |
2X81, ZZL | Aurora kinase A | MLN8054 | 8.03 - 9.19 | 1.00 - 6500 | 3 |
2X8D, X8D | Checkpoint kinase-1 (CHK1) | CHEMBL487274 | 4.62 - 7.31 | 4 - 24400 | 15 |
2X8E, X8E | Checkpoint kinase-1 (CHK1) | CHEMBL1223458 | 3.92 - 5.91 | 4 - 24400 | 15 |
2XAE, 2XA | Kinesin Spindle Protein Eg5 | S-Trityl-L-Cysteine (STLC) Analogue, 49 | 6.26 - 10.60 | 14 - 63000 | 16 |
2XEY, YVQ | Checkpoint kinase-1 (CHK1) | CHEMBL1170126 | 3.56 - 6.00 | 2000 - 139000 | 14 |
2XJ1, XJ1 | PIM1 | pyrazine inhibitor, 24 | 4.12 - 8.04 | 0.47 - 370 | 9 |
2XJ2, 985 | PIM1 | pyrazine inhibitor, 1 | 6.06 - 9.83 | 0.47 - 370 | 6 |
2XK4, OL2 | Serine/threonine-protein kinase NEK2 | CHEMBL1234980 | 6.51 - 11.57 | 390 - 50000 | 15 |
2XK7, 30E | Serine/threonine-protein kinase NEK2 | CHEMBL1230011 | 7.64 - 9.98 | 200 - 38300 | 15 |
2XK8, 5R1 | Serine/threonine-protein kinase NEK2 | CHEMBL1230435 | 5.99 - 10.97 | 390 - 50000 | 13 |
2XKC, 4VQ | Serine/threonine-protein kinase NEK2 | CHEMBL1230337 | 4.95 - 8.81 | 390 - 50000 | 15 |
2XKD, T3M | Serine/threonine-protein kinase NEK2 | CHEMBL1236145 | 1.93 - 11.01 | 390 - 50000 | 15 |
2XKE, WI2 | Serine/threonine-protein kinase NEK2 | CHEMBL1236707 | 6.43 - 9.05 | 390 - 19800 | 15 |
2XKF, BX1 | Serine/threonine-protein kinase NEK2 | CHEMBL1231522 | 7.97 - 11.06 | 390 - 18300 | 15 |
2XNM, WGZ | Serine/threonine-protein kinase NEK2 | benzimidazole thiophene carboxamide, 24 | 5.52 - 10.39 | 25 - 86000 | 14 |
2XNO, ED8 | Serine/threonine-protein kinase NEK2 | CHEMBL1614933 | 3.19 - 8.23 | 25 - 86000 | 13 |
2XNP, WCX | Serine/threonine-protein kinase NEK2 | CHEMBL1615277 | 6.58 - 11.02 | 25 - 50000 | 13 |
2XTK, AZM | Chitinase | Acetazolamide, AZA | 2.39 - 4.89 | 164000 - 1000000 | 6 |
2XXT, KAI | Glutamate receptor ionotropic kainate 2 | Kainate | 13.05 - 16.31 | 2 - 12300 | 16 |
2XXV, KAI | Glutamate receptor ionotropic kainate 2 | Kainate | 12.43 - 15.04 | 2 - 12300 | 16 |
2XXY, KAI | Glutamate receptor ionotropic kainate 2 | Kainate | 13.56 - 16.72 | 2 - 12300 | 16 |
2Y0J, AXC | Phosphodiesterase 10A1 | CHEMBL1641615 | 4.49 - 8.16 | 12 - 10000 | 15 |
2Y33, UN9 | Egl nine homolog 1 | CHEMBL426560 | 5.80 - 11.38 | 80 - 100000 | 5 |
2Y34, UN9 | Egl nine homolog 1 | CHEMBL426560 | 3.91 - 7.54 | 80 - 100000 | 5 |
2YDI, YDI | Checkpoint kinase-1 (CHK1) | CHEMBL452021 | 3.77 - 7.33 | 10 - 23000 | 15 |
2YDJ, YDJ | Checkpoint kinase-1 (CHK1) | CHEMBL2041933 | 6.04 - 6.70 | 5 - 40 | 10 |
2YDK, YDK | Checkpoint kinase-1 (CHK1) | CHEMBL487273 | 5.71 - 6.75 | 3 - 980 | 17 |
2YER, TQ1 | Checkpoint kinase-1 (CHK1) | CHEMBL2012881 | 5.33 - 12.56 | 0.10 - 1590 | 15 |
2YEX, YEX | Checkpoint kinase-1 (CHK1) | CHEMBL1223526 | 5.80 - 10.45 | 0.10 - 1590 | 15 |
2YM7, YM7 | Checkpoint kinase-1 (CHK1) | CHEMBL1928689 | 5.23 - 9.21 | 21 - 122000 | 15 |
2YM8, YM8 | Checkpoint kinase-1 (CHK1) | CHEMBL1928705 | 5.25 - 11.06 | 1.00 - 940 | 15 |
2YWP, A42 | Checkpoint kinase-1 (CHK1) | Urea Compound 2 | 2.67 - 7.74 | 3 - 6050 | 15 |
2ZV2, 609 | CAMKK2 | STO-609 | 9.32 - 9.64 | 10 - 500 | 2 |
3AM7, MGP | Eukaryotic translation initation factor | CHEMBL1094973 | 6.99 - 10.29 | 28 - 56800 | 14 |
3ANL, SYC | 1-deoxy-D-xylulose 5-phosphate reductoisomerase (DXR) | CHEMBL1615245 | 5.56 - 7.05 | 840 - 15900 | 3 |
3ANM, SYD | 1-deoxy-D-xylulose 5-phosphate reductoisomerase (DXR) | CHEMBL1615246 | 5.61 - 7.88 | 840 - 4600 | 2 |
3ANN, SYE | 1-deoxy-D-xylulose 5-phosphate reductoisomerase (DXR) | CHEMBL1615247 | 6.03 - 7.81 | 4600 - 15900 | 2 |
3ANS, S38 | Epoxide hydratase | CHEMBL1615212 | 7.17 - 10.33 | 1.00 - 3000 | 9 |
3ANT, S82 | Epoxide hydratase | CHEMBL1615216 | 6.81 - 8.52 | 4 - 1200 | 14 |
3AYK, CGS | Matrix Metalloproteinase-1 (MMP-1) | CGS 27023A | 4.68 - 6.59 | 15 - 1156 | 12 |
3B2R, VDN | Phosphodiesterase Type 5 (PDE5A) | Vardenafil | 6.75 - 10.78 | 0.20 - 50 | 10 |
3B4F, TUO | Carbonic anhydrase 2 | indole sulfonamide, L | 4.56 - 6.98 | 7 - 61 | 14 |
3B92, 440 | TNF-alpha-Converting Enzyme | thiol-aryl sulfone, 8b | 7.30 - 8.54 | 8 - 56 | 7 |
3BBT, FMM | ERBB4 | cid_208908 | 6.16 - 9.83 | 54 - 1718 | 4 |
3BE2, RAJ | VEGFR-2 (KDR) | pyridinyl pyrimidine 39 | 3.50 - 11.39 | 2 - 25000 | 12 |
3BGP, VX1 | PIM1 | benzisoxazole-pyrimidine, 2 | 3.59 - 5.64 | 91 - 91 | 2 |
3BGQ, VX2 | PIM1 | triazolopyridazine compound, 1 | 3.13 - 7.98 | 11 - 3300 | 15 |
3BGZ, VX3 | PIM1 | diphenylindole carboxylic acid, 3 | 3.73 - 7.35 | 530 - 2800 | 4 |
3BIZ, 61E | WEE1 | CHEMBL410261 | 11.01 - 14.40 | 15 - 75 | 8 |
3BL1, BL1 | Carbonic anhydrase 2 | Indapamide | 3.51 - 6.01 | 26 - 1260 | 14 |
3BSC, 2PD | HCV NS5B Polymerase | pyridazinone derivative, 3 | 6.83 - 10.92 | 10 - 33000 | 15 |
3C0Z, SHH | Histone Deacetylase 7 (HDAC7) | cid_5311 | 0.75 - 7.00 | 21000 - 100000 | 7 |
3C2L, F2A | DNA polymerase beta | CHEMBL1162297 | 9.59 - 14.17 | 600 - 200000 | 4 |
3C2M, F2A | DNA polymerase beta | CHEMBL1162297 | 11.33 - 14.13 | 600 - 200000 | 5 |
3C3U, C2U | 20-alpha-Hydroxysteroid Dehydrogenase (AKR1C1) | 3,5-dichlorosalicylic acid | 0.05 - 5.58 | 0.86 - 2300 | 5 |
3C7N, ADP | heat shock 70kDa protein 8 isoform 1 | Adenosine Diphosphate (ADP) | 10.28 - 16.19 | 110 - 17300 | 4 |
3CAJ, EZL | Carbonic anhydrase 2 | Ethoxzolamide (EZA) | 1.83 - 8.48 | 0.50 - 8 | 20 |
3CCN, LKG | Tyrosine Kinase c-Met | Triazolopyridazine, 3a | 7.92 - 9.16 | 1.00 - 2100 | 11 |
3CD8, L5G | Tyrosine Kinase c-Met | Triazolopyridazine, 4 | 9.46 - 11.21 | 1.00 - 67 | 15 |
3CDE, N3H | HCV NS5B Polymerase | 5-hydroxy- 3(2H)-pyridazinone, 2 | 5.00 - 7.68 | 10 - 8000 | 15 |
3CE3, 1FN | Tyrosine Kinase c-Met | 2-pyridone analogue, 2 | 8.02 - 12.04 | 1.00 - 1000 | 13 |
3CH6, 311 | 11-beta-Hydroxysteroid Dehydrogenase 1 (11-beta-HSD1) | pyridine amide, 30 | 3.57 - 10.36 | 0.10 - 17 | 10 |
3CHC, ZRG | Chitinase | Monopeptide | 9.68 - 12.03 | 12000 - 81000 | 2 |
3CHD, WRG | Chitinase | Dipeptide | 5.61 - 9.19 | 4300 - 81000 | 4 |
3CJF, SAV | VEGFR-2 (KDR) | pyrimidine, 5a | 0.94 - 7.55 | 0.60 - 36 | 9 |
3CO9, 3MS | HCV NS5B Polymerase | pyrrolo[1,2-b]pyridazin-2-one analog., 3c | 5.31 - 9.37 | 10 - 33000 | 15 |
3CQU, CQU | Protein kinase B (Akt 1) | pyrrolopyrimidine, 5d | 0.39 - 8.03 | 2 - 10000 | 15 |
3CQW, CQW | Protein kinase B (Akt 1) | pyrrolopyrimidine, 8b | 5.28 - 6.54 | 3 - 294 | 8 |
3CSE, N22 | Dihydrofolate Reductase (DHFR) | Propargyl-linked, 11 | 6.37 - 11.00 | 0.55 - 39 | 13 |
3CUK, 4P5 | D-Amino Acid Oxidase (DAAO) | 5-carboxyfuro[3,2-b]pyrrole, 1 | 1.31 - 7.45 | 3 - 5000 | 7 |
3CVK, N34 | HCV NS5B Polymerase | hexahydro-pyrrolo[1,2-b]pyridazin-2-one, 4c | 6.16 - 10.13 | 10 - 6500 | 16 |
3CWJ, 321 | HCV NS5B Polymerase | benzothiazine-containing analog, 3a | 1.09 - 7.98 | 10 - 8000 | 15 |
3CZR, 3CZ | 11-beta-Hydroxysteroid Dehydrogenase 1 (11-beta-HSD1) | arylsulfonylpiperazine, 45 | 5.21 - 7.37 | 3 - 1000 | 16 |
3CZV, AZM | Carbonic anhydrase XIII | Acetazolamide, AZA | 2.31 - 3.94 | 50 - 147 | 3 |
3D14, AK1 | Aurora Kinase A (Aurora-A) | thieno[3,2-d]pyrimidine analogue, 10 | 5.77 - 10.53 | 4 - 7200 | 15 |
3D15, AK2 | Aurora Kinase A (Aurora-A) | SN-314 | 5.93 - 12.53 | 9 - 7200 | 15 |
3D28, B34 | HCV NS5B Polymerase | 1,1-dioxoisothiazole analog., 3 | 4.66 - 6.83 | 18 - 21000 | 15 |
3D5M, 4MS | HCV NS5B Polymerase | 1,1-dioxoisothiazole analog., 34 | 4.82 - 7.79 | 10 - 1600 | 15 |
3D6O, U1S | RNase A | CHEMBL445773 | 2.81 - 6.44 | 6000 - 647000 | 15 |
3D6P, U2S | RNase A | CHEMBL460902 | 0.46 - 4.89 | 6000 - 647000 | 14 |
3D6Q, U3S | RNase A | CHEMBL444258 | 2.08 - 6.20 | 6000 - 647000 | 14 |
3D7B, U4S | RNase A | CHEMBL513623 | 1.06 - 5.01 | 6000 - 647000 | 14 |
3D8W, D8W | Carbonic anhydrase 2 | Benzolamide (BZA) | 2.84 - 5.69 | 0.50 - 9000 | 12 |
3D8Y, T3S | RNase A | CHEMBL460910 | 1.45 - 6.32 | 6000 - 423000 | 15 |
3D8Z, TXS | RNase A | CHEMBL511875 | 2.23 - 6.84 | 6000 - 423000 | 15 |
3DD0, EZL | Carbonic anhydrase 2 | Ethoxzolamide (EZA) | 4.04 - 8.59 | 0.50 - 8 | 20 |
3DGQ, EAA | Glutathione S-transferase Pi | CHEMBL456 | 1.06 - 5.07 | 624 - 40000 | 12 |
3DJO, U2P | Seminal ribonuclease | CHEMBL447360 | 4.45 - 4.50 | 40800 - 1046400 | 3 |
3DJQ, UDP | Seminal ribonuclease | CHEMBL130266 | 1.55 - 5.64 | 40800 - 1557900 | 3 |
3DJV, C3P | Seminal ribonuclease | CHEMBL258728 | 1.48 - 5.70 | 27900 - 1557900 | 4 |
3DNG, AXA | Matrix Metalloproteinase-8 (MMP-8) | hexahydrobenzothienopyrimidine, 2 | 7.20 - 12.35 | 7 - 3200 | 3 |
3DPE, AXB | Matrix Metalloproteinase-8 (MMP-8) | thiopyranothienopyrimidine, 1 | 10.95 - 14.72 | 7 - 57 | 2 |
3DPF, AXB | Matrix Metalloproteinase-8 (MMP-8) | thiopyranothienopyrimidine, 1 | 11.16 - 12.69 | 7 - 57 | 2 |
3DQR, JI2 | Nitric Oxide Synthase, brain Mutant (D597N/M336V) | aminopyridine-pyrrolidine, 5 | 4.24 - 5.40 | 1200 - 49200 | 4 |
3DX0, MSN | Golgi alpha-mannosidase II | CHEMBL9623 | 8.42 - 8.62 | 36 - 76 | 2 |
3DXH, UDP | RNase A | CHEMBL130266 | 0.94 - 7.90 | 27 - 844200 | 13 |
3DY8, 5GP | Phosphodiesterase Type 9 (PDE9A) | CHEMBL564410 | 1.68 - 4.93 | 2000 - 150000 | 3 |
3DYA, PZL | HIV-1 Reverse Transcriptase RNase H | annulated pyrazole compound, 6 | 8.25 - 8.99 | 3 - 24 | 6 |
3DYQ, PCG | Phosphodiesterase Type 9 (PDE9A) | CHEMBL395336 | 0.56 - 8.07 | 2 - 150000 | 6 |
3DYS, 5GP | Phosphodiesterase Type 9 (PDE9A) | CHEMBL564410 | 1.54 - 3.03 | 2000 - 150000 | 2 |
3DZ2, A8M | S-Adenosylmethionine Decarboxylase (AdoMetDC) | AdoMet substrate analogue, 21c | 9.04 - 12.89 | 5 - 500000 | 13 |
3DZ4, C8M | S-Adenosylmethionine Decarboxylase (AdoMetDC) | AdoMet substrate analogue, 17d | 8.68 - 12.31 | 5 - 420000 | 13 |
3DZ5, M8M | S-Adenosylmethionine Decarboxylase (AdoMetDC) | AdoMet substrate analogue, 12a | 10.06 - 11.80 | 5 - 420000 | 13 |
3DZ7, O8M | S-Adenosylmethionine Decarboxylase (AdoMetDC) | AdoMet substrate analogue, 17f | 8.24 - 10.85 | 5 - 420000 | 12 |
3E01, PZ2 | HIV-1 Reverse Transcriptase RNase H | pyrazolo[3,4-c]pyridazine, 10 | 6.41 - 8.59 | 3 - 24 | 6 |
3E37, ED5 | Protein Farnesyltransferase (PFT) | ethylenediamine scaffold, 5 | 6.67 - 11.47 | 56 - 4050 | 5 |
3E3U, NVC | Peptide deformylase | CHEMBL506649 | 8.28 - 11.74 | 8 - 803 | 11 |
3E5A, VX6 | Aurora kinase A | VX-680 | 6.23 - 10.07 | 0.70 - 4100 | 8 |
3E62, 5B1 | Tyrosine-protein kinase JAK2 | CHEMBL465091 | 0.44 - 6.15 | 1600 - 145300 | 5 |
3E63, 5B2 | Tyrosine-protein kinase JAK2 | CHEMBL500779 | 4.89 - 8.22 | 78 - 9300 | 14 |
3E64, 5B3 | Tyrosine-protein kinase JAK2 | CHEMBL480411 | 5.88 - 10.04 | 78 - 8580 | 12 |
3E9S, TTT | SARS coronavirus 3C-like proteinase | Naphthalene and Benzamide Derivative, 25 | 5.46 - 11.79 | 460 - 46100 | 13 |
3EB1, LZQ | Protein-tyrosine phosphatase 1B (PTP1B) | CHEMBL1234135 | 2.30 - 3.08 | 20000 - 20000 | 2 |
3EEM, 53V | Dihydrofolate Reductase (DHFR) | Biphenyl antifolate, 6 | 8.04 - 11.00 | 0.55 - 39 | 14 |
3EFK, MT4 | Tyrosine Kinase c-Met | pyrimidone, 50 | 11.35 - 15.50 | 3 - 136 | 15 |
3EFT, 3BS | Carbonic anhydrase 2 | CHEMBL436648 | 4.41 - 5.56 | 3 - 351 | 5 |
3EHW, DUP | dUTP pyrophosphatase | CHEMBL1232397 | 0.83 - 22.73 | 300 - 1000000 | 11 |
3ELC, F01 | 2C-methyl-D-erythritol-2,4-cyclodiphosphate synthase (IspF) | 5-fluorocytidine | 6.10 - 9.74 | 900000 - 20500000 | 4 |
3EQM, ASD | Aromatase (CYP19) | CHEMBL274826 | 0.04 - 7.77 | 2 - 3000 | 13 |
3ERK, SB4 | ERK-2 | SB220025 | 6.14 - 10.04 | 18000 - 100000 | 3 |
3ERN, CAR | 2C-methyl-D-erythritol-2,4-cyclodiphosphate synthase (IspF) | AraCMP | 6.00 - 10.34 | 900000 - 20500000 | 4 |
3EXO, 5MS | beta-Secretase (BACE-1) | aminopyrimidine, 5 | 4.67 - 8.13 | 15000 - 1600000 | 15 |
3EYL, SMK | XIAP-BIR3 | Smac037 | 7.34 - 11.88 | 24 - 14400 | 19 |
3EZR, EZR | Cyclin-dependent kinase 2 | indazole-benzimidazole, 17 | 10.62 - 13.22 | 4 - 109000 | 15 |
3F0B, 53R | Dihydrofolate Reductase (DHFR) | propargyl-based inhibitor, R-10a | 5.72 - 6.49 | 61 - 61 | 2 |
3F1Q, BCE | Dihydroorotate Dehydrogenase (DHODH) | cyanohydroxybutenamide, 10 | 2.71 - 6.80 | 3 - 1083 | 13 |
3F2A, 985 | PIM1 | pyrazine inhibitor, 1 | 8.79 - 10.27 | 0.47 - 370 | 6 |
3F66, IHX | Hepatocyte growth factor receptor | CHEMBL462712 | 5.69 - 7.84 | 170 - 60200 | 15 |
3F7B, AG5 | Carbonic Anhydrase IV | CHEMBL1094898 | 5.57 - 9.81 | 23 - 5000 | 15 |
3F7H, 419 | ML-IAP-BIR | Azabicyclooctane scaffold, 14a | 8.21 - 10.64 | 38 - 10000 | 13 |
3F7I, G13 | ML-IAP-BIR | Azabicyclooctane scaffold, 14b | 8.69 - 11.70 | 38 - 10000 | 14 |
3F7U, AG4 | Carbonic Anhydrase IV | CHEMBL1099124 | 6.54 - 9.76 | 23 - 5000 | 15 |
3F82, 353 | Tyrosine Kinase c-Met | BMS-777607 | 7.07 - 14.54 | 1.00 - 1000 | 15 |
3FAT, AMQ | Glutamate receptor ionotropic, AMPA 4 | AMPA | 11.16 - 13.10 | 3 - 155 | 3 |
3FCF, FCF | Uracil-DNA glycosylase | 6-[[(3-Carboxy-benzylidene)-aminooxy]ethoxyimino]methyl]uracil, 14 | 4.67 - 11.69 | 1300 - 750000 | 4 |
3FCI, 3FI | Uracil-DNA glycosylase | 6-[3-[(3-Carboxy-benzylidene)aminooxypropylamino]-methyl]uracil, 6 | 11.34 - 12.36 | 1300 - 315000 | 4 |
3FCK, FCK | Uracil-DNA glycosylase | cid_5307829 | 4.73 - 7.27 | 1300 - 750000 | 5 |
3FCL, 3FL | Uracil-DNA glycosylase | cid_5307970 | 7.11 - 10.39 | 1300 - 700000 | 3 |
3FHR, P4O | MAPK-Activated Protein Kinase 3 (MK3) | Pyrrolopyridine, 16 | 6.64 - 9.18 | 210 - 57700 | 3 |
3FJ6, CIH | Dihydroorotate Dehydrogenase (DHODH) | cyanohydroxybutenamide, 24 | 3.60 - 7.03 | 3 - 2000 | 14 |
3FJL, CJH | Dihydroorotate Dehydrogenase (DHODH) | cyanohydroxybutenamide, 29 | 6.35 - 10.25 | 3 - 190 | 14 |
3FL8, RAR | Dihydrofolate Reductase (DHFR) | CHEMBL1235617 | 9.55 - 10.99 | 54 - 170 | 3 |
3FL9, TOP | Dihydrofolate Reductase (DHFR) | Trimethoprim | 2.42 - 5.15 | 942 - 109200 | 10 |
3FPD, Q4A | Histone-lysine N-methyltransferase, H3 lysine-9 specific 5 | CHEMBL569864 | 6.78 - 11.55 | 15 - 38000 | 5 |
3FPM, 793 | MAPK-Activated Protein Kinase 2 (MK2) | CHEMBL466496 | 5.74 - 7.11 | 380 - 100000 | 15 |
3FR2, 8CA | Fatty acid binding protein adipocyte | CHEMBL452596 | 5.46 - 8.01 | 69 - 25000 | 13 |
3FR5, I4A | Fatty acid binding protein adipocyte | CHEMBL516023 | 3.64 - 6.09 | 96 - 1660 | 2 |
3FRF, XCF | Dihydrofolate Reductase (DHFR) | CHEMBL1236788 | 5.45 - 6.23 | 0.08 - 7 | 3 |
3FW3, ETS | Carbonic Anhydrase IV | Dorzolamide (DZA) | 4.57 - 7.95 | 32 - 8500 | 8 |
3FXV, 643 | Farnesoid X-Activated Receptor | 3-aryl isoxazole analog, 7a | 6.87 - 10.88 | 45 - 7330 | 11 |
3FXW, F10 | MAPK-Activated Protein Kinase 3 (MK3) | Pyrrolopyridine, 23 | 6.45 - 9.42 | 210 - 57700 | 4 |
3FYV, XCF | Dihydrofolate Reductase (DHFR) | CHEMBL1236788 | 4.80 - 6.25 | 0.08 - 7 | 3 |
3FZR, 3JZ | Protein tyrosine kinase 2 beta | CHEMBL472212 | 4.62 - 7.31 | 2 - 3000 | 14 |
3FZS, B96 | Protein tyrosine kinase 2 beta | cid_156422 | 9.01 - 11.32 | 400 - 990000 | 3 |
3FZT, 4JZ | Protein tyrosine kinase 2 beta | CHEMBL1084269 | 2.50 - 9.97 | 400 - 990000 | 3 |
3G0U, MDY | Dihydroorotate Dehydrogenase (DHODH) | cyanohydroxybutenamide, 19 | 5.55 - 8.13 | 11 - 10700 | 14 |
3G0X, MD7 | Dihydroorotate Dehydrogenase (DHODH) | cyanocyclopropylpropenamide, 11 | 2.51 - 6.13 | 3 - 1083 | 12 |
3G2H, IMP | Glycogen Phosphorylase (PYGM) | Inosine | 0.74 - 2.23 | 1020 - 6100000 | 7 |
3G2H, KOT | Glycogen Phosphorylase (PYGM) | CHEMBL601227 | 6.37 - 12.93 | 14000 - 780000 | 10 |
3G2I, RUG | Glycogen Phosphorylase (PYGM) | CHEMBL602068 | 4.74 - 10.42 | 14000 - 780000 | 10 |
3G2J, 9GP | Glycogen Phosphorylase (PYGM) | CHEMBL602684 | 8.68 - 11.44 | 10000 - 4500000 | 10 |
3G2K, SKY | Glycogen Phosphorylase (PYGM) | CHEMBL600003 | 5.94 - 13.00 | 14000 - 780000 | 10 |
3G2L, LEW | Glycogen Phosphorylase (PYGM) | CHEMBL600202 | 5.19 - 10.46 | 14000 - 780000 | 9 |
3G2N, OAK | Glycogen Phosphorylase (PYGM) | CHEMBL131967 | 4.97 - 12.94 | 4600 - 4500000 | 12 |
3G3E, G3E | D-Amino Acid Oxidase (DAAO) | 3-hydroxyquinolin-2(1H)-one, 2 | 1.72 - 6.53 | 3 - 26200 | 16 |
3G5M, XM5 | Quinone reductase 2 | casimiroin | 3.06 - 5.07 | 1900 - 500000 | 13 |
3G6Z, A7T | Renin | CHEMBL1230745 | 2.26 - 12.39 | 0.16 - 1100 | 15 |
3G70, A5T | Renin | CHEMBL509903 | 7.26 - 13.60 | 0.28 - 699 | 15 |
3G72, A6T | Renin | CHEMBL500811 | 10.95 - 14.79 | 0.28 - 699 | 13 |
3GAM, MXX | Quinone reductase 2 | casimiroin analogue, 1l | 3.32 - 5.32 | 1900 - 500000 | 15 |
3GDL, UP6 | Orotidine phosphate decarboxylase | C6-Uridine Derivative, 18 | 7.77 - 13.11 | 0.01 - 400 | 3 |
3GN1, AX7 | Pteridine Reductase 1 (PTR1) | Imidazole C-2 deriv. 3 | 0.38 - 3.34 | 10600 - 288000 | 3 |
3GN2, AX8 | Pteridine Reductase 1 (PTR1) | 2-aminobenzimidazole deriv., 9 | 2.66 - 5.27 | 7 - 200000 | 6 |
3GSS, EAA | Glutathione S-transferase Pi | CHEMBL456 | 0.11 - 4.33 | 624 - 40000 | 12 |
3GW5, 72X | Renin | piperidine-1-carboxamide, 21l | 12.39 - 15.30 | 0.10 - 315 | 14 |
3GXT, NOJ | Alpha-galactosidase A | Deoxynojirimycin, DNJ | 3.64 - 8.51 | 6400 - 1000000 | 9 |
3H0W, N8M | S-Adenosylmethionine Decarboxylase (AdoMetDC) | AdoMet substrate analogue, 23a | 7.95 - 11.78 | 5 - 420000 | 12 |
3H3C, P1E | Protein tyrosine kinase 2 beta | CHEMBL509485 | 7.08 - 8.99 | 10 - 320 | 15 |
3H9O, 9BD | 3-Phosphoinositide-Dependent Protein Kinase 1 (PDK1) | Benzo[c][2,7]naphthyridine, 9 | 8.85 - 12.39 | 35 - 7490 | 13 |
3HCC, LT3 | Phenylethanolamine N-Methyltransferase (PNMT) | CHEMBL35982 | 3.69 - 6.47 | 10000 - 730000 | 2 |
3HKN, MFS | Carbonic anhydrase 2 | CHEMBL573459 | 2.30 - 5.65 | 15 - 4100 | 8 |
3HKQ, 1SD | Carbonic anhydrase 2 | CHEMBL569412 | 4.17 - 9.12 | 3900 - 4980 | 10 |
3HKU, TOR | Carbonic anhydrase 2 | CHEMBL1079207 | 5.05 - 7.99 | 10 - 13000 | 5 |
3HL5, 9JZ | XIAP-BIR3 | CS-3 | 7.94 - 9.54 | 2400 - 34000 | 3 |
3HQU, UN9 | Egl nine homolog 1 | CHEMBL426560 | 4.63 - 7.52 | 80 - 100000 | 5 |
3HS4, AZM | Carbonic anhydrase 2 | Acetazolamide, AZA | 4.16 - 6.60 | 2 - 3700 | 11 |
3HSC, ADP | heat shock 70kDa protein 8 isoform 1 | Adenosine Diphosphate (ADP) | 9.77 - 15.00 | 110 - 17300 | 4 |
3HVO, VGI | HCV NS5B Polymerase | 1H-benzo[de]isoquinoline-1,3(2H)-dione, 1 | 4.78 - 6.77 | 43 - 50000 | 15 |
3HYF, ON1 | HIV-1 Reverse Transcriptase RNase H | pyrimidinol carboxylic acid, 9 | 3.88 - 4.94 | 1150 - 72000 | 5 |
3I06, QL2 | Cruzipain | CHEMBL567341 | 1.70 - 3.42 | 0.20 - 316 | 10 |
3I1Y, 33N | Epoxide hydratase | CHEMBL560537 | 10.14 - 12.85 | 5 - 3000 | 14 |
3I28, 34N | Epoxide hydratase | CHEMBL556717 | 6.25 - 12.68 | 4 - 565 | 10 |
3I4A, LN5 | N(G),N(G)-dimethylarginine dimethylaminohydrolase 1 | CHEMBL507472 | 8.88 - 13.78 | 13000 - 5000000 | 10 |
3I5N, B2D | Hepatocyte growth factor receptor | CHEMBL566875 | 9.93 - 11.61 | 3 - 6667 | 15 |
3IBI, BOW | Carbonic anhydrase 2 | aliphatic sulfamate, 1 | 5.50 - 8.05 | 0.70 - 9000 | 8 |
3IBL, O59 | Carbonic anhydrase 2 | bis-sulfamate, 3 | 3.67 - 6.70 | 0.70 - 9000 | 8 |
3IBN, O60 | Carbonic anhydrase 2 | bis-sulfamate, 4 | 2.51 - 6.74 | 0.70 - 9000 | 8 |
3IBU, O48 | Carbonic anhydrase 2 | aliphatic sulfamate, 2 | 5.11 - 8.61 | 0.70 - 9000 | 8 |
3IEJ, 599 | Cathepsin S | arylalkyne pyrazole-based compound, 32 | 3.40 - 5.65 | 40 - 1100 | 15 |
3IK1, UMP | Thymidylate synthase | CHEMBL211312 | 4.34 - 8.89 | 310 - 8750 | 13 |
3IKD, J9Z | PPIase Pin1 | benzothiophene carboxamide, 18b | 7.62 - 8.71 | 6 - 525 | 9 |
3IKG, J8Z | PPIase Pin1 | 3-methylphenylalanine derivative, 22b | 5.80 - 7.75 | 6 - 525 | 8 |
3IL5, B82 | beta-Ketoacyl-ACP Synthase III (FabH) | Diethylsulfonamide Derivative, 13a | 5.49 - 7.83 | 62 - 160000 | 10 |
3IMY, B72 | Thyroid Hormone Receptor (TR-beta) | CHEMBL107400 | 9.28 - 12.74 | 0.07 - 3600 | 6 |
3IPS, O90 | Liver X Receptor alpha (LXR-alpha) | CHEMBL23296 | 7.98 - 11.90 | 12 - 6400 | 13 |
3IPX, ADP | Deoxycytidine kinase | Adenosine Diphosphate (ADP) | 3.60 - 3.75 | 4000 - 1000000 | 2 |
3IPX, B86 | Deoxycytidine kinase | CHEMBL1076257 | 9.54 - 11.37 | 4000 - 1000000 | 2 |
3ISD, F2A | DNA polymerase beta | CHEMBL1162297 | 8.76 - 10.70 | 600 - 200000 | 5 |
3JSI, WTC | Phosphodiesterase Type 9 (PDE9A) | CHEMBL572934 | 7.58 - 9.30 | 0.80 - 200 | 15 |
3JSW, JAR | Phosphodiesterase Type 9 (PDE9A) | CHEMBL572517 | 7.36 - 9.98 | 0.80 - 200 | 15 |
3JSX, CC2 | Quinone Reductase 1 | 4-hydroxy-2H-chromen-2-one core, 16 | 3.35 - 6.72 | 0.41 - 5500 | 14 |
3JXW, LXG | PIM1 | benzothienopyrimidinone deriv., 12b | 6.31 - 7.81 | 0.80 - 65 | 13 |
3JY0, LYG | PIM1 | benzothienopyrimidinone deriv., 6e | 4.61 - 6.72 | 3 - 332 | 14 |
3JY9, JZH | Tyrosine-protein kinase JAK2 | CHEMBL584052 | 2.24 - 8.83 | 0.50 - 5600 | 12 |
3JYA, LWG | PIM1 | benzothienopyrimidinone deriv., 3b | 3.89 - 7.52 | 0.90 - 358 | 16 |
3JZC, 4HY | Thyroid Hormone Receptor (TR-beta) | Triiodothyroacetic acid, 3 | 7.62 - 10.39 | 0.02 - 2140 | 7 |
3K47, D09 | Dihydrofolate Reductase (DHFR) | 2,4-diaminofuro[2,3-d]pyrimidine, 1a | 6.62 - 7.36 | 3200 - 187000 | 7 |
3K5V, STI | ABL | Imatinib, 21 | 9.61 - 16.57 | 9 - 11 | 2 |
3KC3, MK2 | MAPK-Activated Protein Kinase 2 (MK2) | CHEMBL590110 | 8.06 - 8.63 | 720 - 5400 | 4 |
3KDT, 7HA | Peroxisome Proliferator-Activated Receptor alpha | BMS-687453 | 1.14 - 12.22 | 97 - 697 | 3 |
3KEN, ZZD | Kinesin Spindle Protein Eg5 | S-Trityl-L-Cysteine (STLC), 1 | 7.10 - 11.19 | 14 - 63000 | 16 |
3KFC, 61X | Liver X Receptor beta (LXR-beta) | CHEMBL593241 | 9.45 - 12.74 | 2 - 118 | 15 |
3KM4, 22X | Renin | CHEMBL589399 | 12.70 - 16.13 | 0.18 - 2260 | 15 |
3KOO, 24D | Epoxide hydratase | CHEMBL589136 | 6.60 - 9.98 | 4 - 63 | 9 |
3KRR, DQX | Tyrosine-protein kinase JAK2 | CHEMBL1092926 | 5.80 - 12.54 | 3 - 685 | 15 |
3KWA, SPM | Carbonic anhydrase 2 | Spermine | 4.87 - 6.75 | 1110 - 84000 | 3 |
3KWZ, KWZ | Cathepsin K | CHEMBL1084400 | 0.29 - 1.85 | 3 - 389 | 10 |
3KX1, KX1 | Cathepsin K | CHEMBL1084403 | 0.15 - 3.21 | 4 - 100 | 6 |
3LC3, IYX | Factor IXa (fIXa) | CHEMBL598384 | 6.01 - 8.53 | 250 - 26900 | 15 |
3LOK, DJK | Src Mutant (S345C/T338M) | 4-anilinoquinazoline deriv. 2 | 3.12 - 3.29 | 2810 - 50000 | 3 |
3M08, RAR | Dihydrofolate Reductase (DHFR) | CHEMBL1235617 | 7.86 - 10.18 | 3 - 13 | 3 |
3M3X, JS7 | Carbonic anhydrase 2 | CHEMBL1233768 | 3.37 - 6.34 | 16 - 420 | 10 |
3M40, J45 | Carbonic anhydrase 2 | CHEMBL1233722 | 4.74 - 5.92 | 23 - 83368118 | 6 |
3M5E, JDR | Carbonic anhydrase 2 | CHEMBL1233735 | 5.25 - 7.41 | 16 - 100000 | 11 |
3M67, E36 | Carbonic anhydrase 2 | CHEMBL1232443 | 7.04 - 9.87 | 20 - 1800 | 15 |
3M96, E38 | Carbonic anhydrase 2 | CHEMBL1271638 | 6.36 - 8.07 | 20 - 1800 | 15 |
3M98, E02 | Carbonic anhydrase 2 | CHEMBL1272187 | 2.52 - 7.65 | 60 - 4200 | 12 |
3MDZ, EZL | Carbonic anhydrase 7 (CA VII) | Ethoxzolamide (EZA) | 4.90 - 5.46 | 0.71 - 4 | 2 |
3MHC, ARZ | Carbonic anhydrase 2 | Investigational agent, 4 | 4.42 - 6.46 | 0.50 - 11 | 7 |
3MHI, J90 | Carbonic anhydrase 2 | CHEMBL1233732 | 3.36 - 7.75 | 16 - 200 | 7 |
3MHL, J71 | Carbonic anhydrase 2 | CHEMBL1233725 | 4.87 - 7.20 | 16 - 200 | 8 |
3MHM, J75 | Carbonic anhydrase 2 | CHEMBL1233727 | 3.66 - 7.24 | 14 - 200 | 10 |
3MHO, J43 | Carbonic anhydrase 2 | CHEMBL1233721 | 1.50 - 6.10 | 23 - 83368118 | 11 |
3ML2, SU0 | Carbonic anhydrase 2 | CHEMBL477822 | 1.48 - 5.31 | 9 - 125 | 7 |
3MMF, D9H | Carbonic anhydrase 2 | CHEMBL1738787 | 4.19 - 5.92 | 37 - 561 | 10 |
3MNA, DWH | Carbonic anhydrase 2 | CHEMBL1738792 | 3.81 - 6.18 | 23 - 561 | 10 |
3MNU, SO4 | Carbonic anhydrase 2 | sulfate ion | 0.92 - 2.29 | 89000000 - 89000000 | 2 |
3MS9, STI | ABL | Imatinib, 21 | 11.01 - 16.94 | 9 - 11 | 2 |
3MSS, STI | ABL | Imatinib, 21 | 11.74 - 16.96 | 9 - 11 | 2 |
3MYQ, E27 | Carbonic anhydrase 2 | CHEMBL1271639 | 5.31 - 7.58 | 20 - 1800 | 15 |
3MZC, S6I | Carbonic anhydrase 2 | CHEMBL1615215 | 2.63 - 6.83 | 2 - 9600 | 15 |
3N0N, P9B | Carbonic anhydrase 2 | CHEMBL316779 | 3.17 - 5.67 | 8 - 5005 | 14 |
3N0T, OPY | Dipeptidyl peptidase II | CHEMBL93505 | 7.19 - 10.05 | 19 - 88700 | 7 |
3N2P, AYX | Carbonic anhydrase 2 | CHEMBL1614844 | 4.57 - 7.32 | 3 - 5005 | 13 |
3N3J, WWV | Carbonic anhydrase 2 | CHEMBL1615280 | 3.15 - 5.40 | 2 - 9600 | 12 |
3N3M, NUP | Orotidine Monophosphate Decarboxylase (ODCase) | C6-Uridine Derivative, 15 | 9.36 - 14.90 | 1000 - 10000000 | 9 |
3N4B, WWZ | Carbonic anhydrase 2 | CHEMBL1615281 | 3.26 - 6.55 | 8 - 9600 | 12 |
3N7R, 3N6 | Calcitonin gene-related peptide type 1 receptor | OLCEGEPANT | 1.70 - 12.22 | 0.01 - 11100 | 5 |
3N7S, 3N6 | Calcitonin gene-related peptide type 1 receptor | OLCEGEPANT | 9.49 - 14.33 | 0.01 - 6626 | 4 |
3N9J, EAA | Glutathione S-transferase Pi | CHEMBL456 | 1.73 - 4.50 | 704 - 40000 | 11 |
3NB5, R21 | Carbonic anhydrase 2 | CHEMBL606453 | 2.14 - 6.21 | 18 - 11500 | 13 |
3NFR, EWQ | Quinone reductase 2 | casimiroin analogue, 1j | 1.71 - 5.76 | 1900 - 500000 | 15 |
3NHF, VVV | Quinone reductase 2 | casimiroin analogue, 1o | 3.04 - 5.38 | 1900 - 500000 | 15 |
3NHJ, A2Z | Quinone reductase 2 | casimiroin analogue, 1b | 3.25 - 4.85 | 1900 - 500000 | 15 |
3NHK, VAP | Quinone reductase 2 | casimiroin analogue, 1n | 0.89 - 3.57 | 1900 - 500000 | 15 |
3NHL, YTR | Quinone reductase 2 | casimiroin analogue, 1h | 0.80 - 3.40 | 1900 - 500000 | 14 |
3NHP, HGZ | Quinone reductase 2 | casimiroin analogue, 1m | 1.81 - 3.74 | 1900 - 500000 | 15 |
3NHR, RZW | Quinone reductase 2 | casimiroin analogue, 1p | 0.96 - 4.89 | 1900 - 500000 | 15 |
3NHW, ZXZ | Quinone reductase 2 | casimiroin analogue, 1d | 2.54 - 5.30 | 1900 - 500000 | 16 |
3NHY, A7B | Quinone reductase 2 | casimiroin analogue, 1e | 3.97 - 5.68 | 1900 - 500000 | 15 |
3NI5, C1H | Carbonic anhydrase 2 | CHEMBL1738778 | 6.31 - 7.52 | 2 - 33 | 5 |
3NTY, 5P3 | 20-alpha-Hydroxysteroid Dehydrogenase (AKR1C1) | CHEMBL1275703 | 1.23 - 10.12 | 0.86 - 460 | 11 |
3NVY, QUE | Xanthine dehydrogenase | Quercetin | 1.41 - 7.84 | 30 - 176100 | 12 |
3O96, IQO | Protein kinase B (Akt) | imidazoquinoxaline 16h | 9.58 - 12.36 | 20 - 1089 | 11 |
3O9L, LPN | Renin | CHEMBL1269671 | 8.14 - 13.94 | 0.09 - 91 | 14 |
3OAD, LPO | Renin | CHEMBL1234078 | 2.88 - 17.13 | 0.05 - 91 | 14 |
3OCS, 746 | BTK | CGI1746, 2 | 5.61 - 10.33 | 2 - 9058 | 12 |
3OOT, SSR | Renin | CHEMBL1236060 | 11.06 - 14.75 | 2 - 9350 | 12 |
3OQF, S51 | Renin | CHEMBL1235802 | 10.72 - 13.63 | 2 - 3400 | 14 |
3OQK, S52 | Renin | CHEMBL1235803 | 11.45 - 15.23 | 5 - 9000 | 15 |
3OTQ, MZL | Epoxide hydratase | CHEMBL1234565 | 5.02 - 9.69 | 1.00 - 650 | 10 |
3OUJ, AKG | Egl nine homolog 1 | CHEMBL1686 | 7.62 - 8.57 | 900 - 100000 | 2 |
3OYS, OYS | Carbonic anhydrase 2 | sulfonamide deriv., 7a | 3.39 - 6.34 | 9 - 3500 | 17 |
3OYW, TDG | Galectin-1 | THIODIGALACTOSIDE | 4.26 - 4.87 | 24000 - 5000000 | 2 |
3P8H, P8H | Lethal(3)malignant brain tumor-like protein 1 | CHEMBL1235119 | 4.10 - 6.94 | 5000 - 46000 | 2 |
3PA3, C70 | Checkpoint kinase-1 (CHK1) | CHEMBL1231624 | 5.98 - 7.71 | 1.00 - 27143 | 15 |
3PA4, C72 | Checkpoint kinase-1 (CHK1) | CHEMBL1231626 | 5.76 - 7.80 | 1.00 - 27143 | 16 |
3PA5, C73 | Checkpoint kinase-1 (CHK1) | CHEMBL470288 | 5.05 - 6.85 | 2 - 746 | 14 |
3PBB, PBD | Glutaminyl cyclase | 1-alkylimidazole thiourea deriv. 53 | 3.19 - 6.14 | 6 - 5660 | 15 |
3PJC, PJC | Tyrosine Kinase JAK3 | CHEMBL1235315 | 7.30 - 10.53 | 8 - 10000 | 8 |
3PTA, SAH | DNA (cytosine-5)-methyltransferase 1 | CHEMBL418052 | 9.43 - 11.75 | 800 - 300000 | 13 |
3PX8, JP2 | Ricin | CHEMBL1738820 | 5.94 - 10.50 | 200000 - 1600000 | 9 |
3PX9, JP3 | Ricin | CHEMBL1738821 | 6.27 - 10.54 | 200000 - 1600000 | 9 |
3PY0, SU9 | Cyclin-dependent kinase 2 | cid_5289419 | 5.54 - 8.35 | 3 - 5355 | 14 |
3PY1, SU9 | Cyclin-dependent kinase 2 | cid_5289419 | 5.03 - 9.54 | 3 - 5355 | 14 |
3PYY, STI | ABL1(Y253F) | Imatinib, 21 | 13.10 - 17.29 | 1.00 - 11000 | 3 |
3PZH, EMO | Casein Kinase II | Emodin | 4.18 - 5.51 | 350 - 40000 | 4 |
3Q0V, LL4 | HTH-type transcriptional regulator EthR | CHEMBL1773953 | 6.02 - 8.44 | 500 - 5600 | 8 |
3Q32, J2I | Tyrosine-protein kinase JAK2 | CHEMBL1615027 | 6.15 - 11.02 | 0.60 - 22 | 15 |
3Q3T, RX0 | Renin | CHEMBL1818050 | 10.07 - 15.33 | 1.00 - 4700 | 13 |
3Q4B, RX5 | Renin | CHEMBL1276678 | 10.70 - 15.21 | 0.30 - 764 | 14 |
3Q5H, RX6 | Renin | CHEMBL2024248 | 10.92 - 17.46 | 0.15 - 764 | 15 |
3QCE, NXY | Receptor-type tyrosine-protein phosphatase gamma | CHEMBL1403981 | 5.19 - 9.21 | 2500 - 120000 | 14 |
3QCF, NXY | Receptor-type tyrosine-protein phosphatase gamma | CHEMBL1403981 | 4.99 - 8.09 | 2500 - 120000 | 14 |
3QCH, NX2 | Receptor-type tyrosine-protein phosphatase gamma | CHEMBL1910886 | 6.19 - 10.53 | 500 - 120000 | 12 |
3QCI, NX3 | Receptor-type tyrosine-protein phosphatase gamma | CHEMBL1910888 | 6.33 - 9.55 | 500 - 120000 | 8 |
3QCJ, NX4 | Receptor-type tyrosine-protein phosphatase gamma | CHEMBL1910889 | 7.82 - 11.82 | 500 - 78000 | 6 |
3QCK, NX5 | Receptor-type tyrosine-protein phosphatase gamma | CHEMBL1910963 | 6.44 - 12.03 | 1300 - 100000 | 10 |
3QIN, P1Y | HIV-1 Reverse Transcriptase RNase H | pyrimidinol carboxylic acid, 10 | 3.74 - 4.70 | 175 - 72000 | 7 |
3QLY, 55V | Dihydrofolate Reductase (DHFR) | CHEMBL1230365 | 6.69 - 9.13 | 0.55 - 39 | 14 |
3QS1, 006 | Plasmepsin I | CHEMBL231522 | 4.16 - 12.60 | 24 - 2000 | 10 |
3R00, UNJ | PIM1 | CHEMBL1738916 | 1.86 - 5.98 | 20 - 119000 | 7 |
3R01, UNE | PIM1 | CHEMBL1738915 | 3.58 - 9.46 | 1.00 - 119000 | 14 |
3R02, UNM | PIM1 | CHEMBL1782530 | 3.44 - 8.38 | 1.00 - 9000 | 14 |
3R04, UNQ | PIM1 | CHEMBL1782513 | 5.75 - 8.37 | 13 - 7800 | 13 |
3R16, 5UN | Carbonic anhydrase 2 | sulfonamide deriv., 5a | 3.35 - 5.46 | 9 - 2500 | 15 |
3R17, 5UM | Carbonic anhydrase 2 | sulfonamide deriv., 5b | 4.00 - 6.01 | 10 - 100000000 | 11 |
3R2Y, P4O | MAPK-Activated Protein Kinase 2 (MK2) | Pyrrolopyridine, 16 | 1.10 - 5.75 | 30 - 8900 | 12 |
3RGF, BAX | Cyclin-Dependent Kinase 8 (CDK8) | Hit compound, 8 | 7.19 - 7.55 | 1.00 - 310000 | 2 |
3RJF, F2A | DNA polymerase beta | CHEMBL1162297 | 8.66 - 12.76 | 600 - 200000 | 4 |
3S5Y, DGJ | Alpha-galactosidase A | CHEMBL110458 | 3.36 - 7.48 | 6400 - 1000000 | 9 |
3S68, TCW | Catechol O-methyltransferase | TOLCAPONE | 2.80 - 6.33 | 2 - 927000 | 15 |
3S73, EVF | Carbonic anhydrase 2 | CHEMBL168552 | 3.58 - 5.99 | 1.00 - 250 | 10 |
3S9T, E49 | Carbonic anhydrase 2 | CHEMBL2010997 | 4.85 - 8.23 | 30 - 430 | 14 |
3SAP, E2I | Carbonic anhydrase 2 | CHEMBL2011154 | 4.39 - 6.81 | 9 - 430 | 13 |
3SAX, E50 | Carbonic anhydrase 2 | CHEMBL2010999 | 5.41 - 8.95 | 13 - 430 | 15 |
3SBH, E65 | Carbonic anhydrase 2 | CHEMBL2010998 | 2.99 - 6.18 | 9 - 430 | 14 |
3SBI, E90 | Carbonic anhydrase 2 | CHEMBL2011156 | 4.64 - 6.48 | 9 - 430 | 14 |
3SFC, S53 | Renin | CHEMBL1825187 | 13.81 - 15.78 | 2 - 1350 | 13 |
3SFF, 0DI | Histone Deacetylase 8 (HDAC8) | CHEMBL1812334 | 1.43 - 8.00 | 90 - 2340 | 2 |
3SFH, 1DI | Histone Deacetylase 8 (HDAC8) | CHEMBL1812335 | 5.29 - 7.30 | 90 - 200 | 2 |
3SR5, Q12 | Dihydrofolate Reductase (DHFR) | CHEMBL1818114 | 5.14 - 6.91 | 0.03 - 3 | 15 |
3SRQ, Q19 | Dihydrofolate Reductase (DHFR) | CHEMBL1818120 | 4.33 - 7.63 | 0.03 - 9 | 14 |
3SRR, Q20 | Dihydrofolate Reductase (DHFR) | CHEMBL1818121 | 5.69 - 9.31 | 0.02 - 3 | 15 |
3SRU, Q26 | Dihydrofolate Reductase (DHFR) | CHEMBL1818127 | 1.41 - 9.42 | 0.02 - 5 | 15 |
3SRW, Q27 | Dihydrofolate Reductase (DHFR) | CHEMBL1818128 | 5.30 - 8.12 | 0.03 - 3 | 12 |
3STR, 3LI | Polypeptide deformylase (PDF) | PDF inhibitor, compound 2 | 9.91 - 16.44 | 54 - 650 | 5 |
3SVH, KRG | CBP | CHEMBL1828984 | 1.80 - 4.51 | 12900 - 200000 | 7 |
3SVJ, 4LI | Polypeptide deformylase (PDF) | PDF inhibitor, compound 3 | 8.71 - 10.60 | 54 - 650 | 5 |
3SW4, 18K | Cyclin-dependent kinase 2 | 2-Anilino-4-(thiazol-5-yl)pyrimidine deriv. 40 | 5.79 - 7.06 | 30 - 10000 | 6 |
3T5U, A09 | Carbonic anhydrase 2 | Hydroxysulfonamide 53 | 3.81 - 5.38 | 13 - 5870 | 11 |
3T60, DUA | Putative deoxyuridine 5''-triphosphate nucleotidohydrolase | CHEMBL377582 | 2.07 - 7.55 | 200 - 1000000 | 12 |
3TE7, TE7 | Quinone reductase 2 | CHEMBL125750 | 2.95 - 5.86 | 6 - 3200 | 14 |
3TKH, 07S | Checkpoint kinase-1 (CHK1) | CHEMBL2011328 | 6.07 - 9.39 | 5 - 520 | 15 |
3TKI, S25 | Checkpoint kinase-1 (CHK1) | CHEMBL2010809 | 8.53 - 11.99 | 0.03 - 15 | 15 |
3TN8, F18 | Cyclin-Dependent Kinase 9 (CDK9) | CAN508 | 7.22 - 9.95 | 350 - 26000 | 6 |
3TNH, F18 | Cyclin-Dependent Kinase 9 (CDK9) | CAN508 | 5.60 - 7.31 | 350 - 26000 | 6 |
3TNW, F18 | Cyclin-dependent kinase 2 | CAN508 | 5.49 - 7.69 | 20000 - 100000 | 6 |
3TPP, 5HA | beta-Secretase (BACE-1) | L-000384950 | 12.14 - 20.22 | 10 - 4630 | 15 |
3TT4, E1S | Matrix Metalloproteinase-8 (MMP-8) | Inhibitor, 17 | 4.99 - 10.38 | 5 - 671 | 5 |
3TVX, PNX | Phosphodiesterase Type 4 (PDE4A) | 1-(5-Oxohexyl)theobromine (pentoxifylline) | 2.14 - 6.54 | 168000 - 747000 | 3 |
3U2O, 03U | Dihydroorotate Dehydrogenase (DHODH) | CHEMBL1929435 | 7.06 - 10.41 | 26 - 198 | 15 |
3U6H, 03X | Hepatocyte growth factor receptor | CHEMBL2031893 | 11.25 - 13.44 | 1.00 - 20000 | 14 |
3U6I, 044 | Hepatocyte growth factor receptor | Substituted Pyrazolone, 4 | 9.61 - 16.16 | 0.90 - 205 | 14 |
3U8J, 09O | Acetylcholine-binding protein (Ls-AchBP) | NS3531, 1 | 5.79 - 6.32 | 3 - 9 | 2 |
3U9N, 09H | Checkpoint kinase-1 (CHK1) | CHEMBL2037017 | 7.03 - 9.75 | 5 - 50000 | 15 |
3UBD, SL0 | RPS6KA3(Kin.Dom.1 - N-terminal) | CHEMBL240954 | 9.20 - 11.66 | 89 - 1920 | 8 |
3V2J, AZM | Carbonic anhydrase 2 | Acetazolamide, AZA | 5.47 - 9.80 | 2 - 3700 | 11 |
3V2M, AZM | Carbonic anhydrase 2 | Acetazolamide, AZA | 3.91 - 6.21 | 2 - 3700 | 11 |
3V5J, 0F2 | Tyrosine-protein kinase ITK | CHEMBL2017554 | 4.24 - 10.33 | 0.30 - 1000 | 9 |
3V5L, 0G1 | Tyrosine-protein kinase ITK | CHEMBL2017555 | 3.08 - 10.37 | 0.30 - 100000 | 9 |
3VBV, 0FK | PIM1 | CHEMBL2032371 | 0.10 - 5.57 | 200 - 10000 | 12 |
3VC4, 0FS | PIM1 | thiazolidine-2,4-dione, 4a | 1.83 - 4.33 | 13 - 45000 | 15 |
3VW6, IM6 | MAP3K5 | CHEMBL1642655 | 7.02 - 8.51 | 14 - 19 | 3 |
3ZS0, ZS0 | Myeloperoxidase | 2-Thioxanthine, TX2 | 0.22 - 1.20 | 200 - 1000 | 4 |
4A22, TD4 | Probable fructose-bisphosphate aldolase Fba | CHEMBL1236228 | 10.06 - 16.54 | 3 - 170 | 3 |
4ABU, FT1 | Transthyretin | CHEMBL240804 | 1.47 - 3.03 | 0.20 - 144000 | 12 |
4ABV, FT2 | Transthyretin | CHEMBL240805 | 0.43 - 2.46 | 0.20 - 144000 | 7 |
4ABW, 42M | Transthyretin | CHEMBL241573 | 1.32 - 1.96 | 27 - 55000 | 5 |
4AC2, 43F | Transthyretin | CHEMBL240807 | 1.13 - 3.20 | 0.30 - 144000 | 7 |
4AC4, HKA | Transthyretin | CHEMBL392872 | 1.59 - 4.23 | 0.20 - 45000 | 10 |
4AFE, GGY | Serine/threonine-protein kinase NEK2 | CHEMBL2042135 | 7.96 - 12.62 | 22 - 10500 | 15 |
4AN0, 2P6 | Prolyl endopeptidase | CHEMBL189620 | 5.27 - 11.23 | 0.20 - 130 | 14 |
4AQC, 88A | Tyrosine-protein kinase JAK2 | US8501936, 26 | 9.26 - 12.34 | 0.64 - 1615 | 15 |
4DBU, BT9 | 17-beta-Hydroxysteroid Dehydrogenase 5 (17-beta-HSD5, AKR1C3) | CHEMBL1682202 | 2.67 - 6.49 | 36 - 2800 | 11 |
4DEG, 0JJ | Hepatocyte growth factor receptor | CHEMBL566685 | 7.32 - 12.56 | 1.00 - 6667 | 12 |
4DEI, 0JL | Hepatocyte growth factor receptor | CHEMBL2029678 | 8.44 - 12.06 | 1.00 - 110 | 15 |
4DMX, 0LB | Cathepsin K | CHEMBL2070936 | 1.66 - 8.30 | 0.60 - 100000 | 14 |
4DUM, HLI | Eukaryotic translation initation factor | CHEMBL2046916 | 11.93 - 13.47 | 16 - 300000 | 6 |
4E3G, PHB | Carbonic anhydrase 2 | p-Hydroxybenzoic acid | 3.20 - 4.88 | 470 - 10570000 | 13 |
4E3G, SO4 | Carbonic anhydrase 2 | sulfate ion | 1.55 - 2.25 | 89000000 - 89000000 | 2 |
4E49, RCO | Carbonic anhydrase 2 | phenol derivative, 3 | 0.03 - 4.36 | 90 - 752000 | 10 |
4E49, SO4 | Carbonic anhydrase 2 | sulfate ion | 0.82 - 2.24 | 200 - 300000000 | 4 |
4E4A, SO4 | Carbonic anhydrase 2 | sulfate ion | 2.74 - 4.13 | 89000000 - 89000000 | 2 |
4E5D, 0NJ | Luciferin 4-monooxygenase | CHEMBL508666 | 3.08 - 7.06 | 600 - 24200 | 15 |
4EC0, 7PQ | PTGDR | CHEMBL2035656 | 5.24 - 9.66 | 2 - 1480 | 6 |
4EDY, 9PQ | PTGDR | CHEMBL2035655 | 4.74 - 8.90 | 2 - 1480 | 6 |
4EDZ, 0O5 | PTGDR | CHEMBL2035653 | 5.03 - 8.70 | 2 - 1480 | 6 |
4EE0, 0O4 | PTGDR | CHEMBL2035651 | 4.82 - 8.79 | 2 - 1480 | 6 |
4EOR, 4SP | Cyclin A2 | NU6102 | 8.42 - 10.83 | 5 - 6800 | 13 |
4ERW, STU | Cyclin-dependent kinase 2 | Staurosporine | 7.30 - 9.39 | 3 - 680 | 9 |
4EZ7, STU | Cyclin-dependent kinase 2 | Staurosporine | 7.43 - 10.62 | 3 - 680 | 10 |
4F6X, ZYL | Dehydrosqualene synthase | CHEMBL2063256 | 6.54 - 10.48 | 33000 - 300000 | 2 |
4FGZ, CQA | Phosphoethanolamine N-methyltransferase | CHEMBL682 | 4.52 - 5.22 | 554000 - 1350000 | 2 |
4FSM, HK1 | Checkpoint kinase-1 (CHK1) | Chk1_4 | 2.60 - 8.85 | 1.00 - 10000 | 12 |
4FST, HK4 | Checkpoint kinase-1 (CHK1) | Chk1_146 | 4.93 - 10.61 | 2 - 10000 | 15 |
4FSW, HK6 | Checkpoint kinase-1 (CHK1) | CHEMBL396034 | 3.35 - 5.96 | 91 - 17200 | 15 |
4FSZ, HK8 | Checkpoint kinase-1 (CHK1) | Chk1_33 | 3.36 - 8.08 | 9 - 17200 | 15 |
4FT0, HK9 | Checkpoint kinase-1 (CHK1) | Chk1_70 | 6.13 - 7.94 | 10 - 10000 | 12 |
4FT9, H4K | Checkpoint kinase-1 (CHK1) | Chk1_72 | 1.56 - 6.54 | 11 - 10000 | 14 |
4FTA, H5K | Checkpoint kinase-1 (CHK1) | Chk1_89 | 1.61 - 7.69 | 4 - 10000 | 13 |
4FTC, H6K | Checkpoint kinase-1 (CHK1) | Chk1_90 | 1.84 - 6.63 | 3 - 10000 | 13 |
4FTK, H9K | Checkpoint kinase-1 (CHK1) | Chk1_95 | 6.58 - 11.31 | 1.00 - 10000 | 15 |
4FTL, H0K | Checkpoint kinase-1 (CHK1) | Chk1_101 | 5.81 - 10.41 | 2 - 10000 | 15 |
4FTR, 5HK | Checkpoint kinase-1 (CHK1) | Chk1_80 | 5.57 - 8.29 | 5 - 1640 | 10 |
4FTU, 7HK | Checkpoint kinase-1 (CHK1) | Chk1_125 | 4.34 - 9.49 | 9 - 10000 | 14 |
4G0C, AZM | Carbonic anhydrase 2 | Acetazolamide, AZA | 3.02 - 5.01 | 2 - 3700 | 11 |
4GG5, 0J3 | Hepatocyte growth factor receptor | CHEMBL1766528 | 8.22 - 11.69 | 0.72 - 10000 | 15 |
4STD, BFS | Scytalone dehydratase | CHEMBL38912 | 2.88 - 6.68 | 0.05 - 71000 | 3 |
5CAC, SO3 | Carbonic anhydrase 2 | sulfamic acid | 5.41 - 5.42 | 200 - 300000000 | 2 |
5STD, UNN | Scytalone dehydratase | CHEMBL42632 | 5.10 - 7.66 | 0.03 - 1800 | 2 |
7STD, CRP | Scytalone dehydratase | CHEMBL40394 | 6.13 - 6.81 | 0.03 - 2 | 2 |
9GSS, GTX | Glutathione S-transferase Pi | CHEMBL58135 | 11.45 - 14.49 | 1110 - 280000 | 6 |