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Target
Sequence
Name
&
Ki
IC50
Kd
EC50
Rate constants
ΔG°
ΔH°
-TΔS°
pH (Enzymatic Assay)
pH (ITC)
Substrate or Competitor
Compound Mol. Wt.
Chemical Structure
Pathways
Source Organism
Number of Compounds
Monomer List in csv
Het List in SDF
Compound
FDA Drugs
Important Compounds
Chemical Structure
Name
SMILES
Number of Data
/
Targets
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Author
Journal/Citation
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Host Guest Systems
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PDB
85%
100%
Seq ID
UniProtKB/Swiss-Prot
UniProtKB/TrEMBL
PubMed
Download
All Compounds & Data
Target Names &
Ki
IC50
Kd
EC50
ΔG°
ΔH°
-TΔS°
Enter Data
Deposition
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Sent Comments
Seach by G (Isothermal Titration Calorimetry)
< ΔG° <
Energy Unit:
kcal/mole
kJ/mole
3-hydroxy-3-methylglutaryl-coenzyme A reductase (HMG-CoA)
[
27
]
HIV-1 Protease Mutant (L10I/L90M)
[
9
]
3-phosphoinositide dependent protein kinase-1
[
2
]
HIV-1 Protease Mutant (M46I/I54V)
[
9
]
Ab N1G9
[
4
]
HIV-1 Protease Mutant (V82A/I84V)
[
9
]
AbDsbA(ox)/AFDQIDNAPEE
[
1
]
HIV-1 Protease Mutant (V82F/I84V)
[
4
]
Acetate Operon Repressor (C-IclR)
[
2
]
HIV-1 Protease Mutant, A-1
[
4
]
Acetate Operon Repressor (IclR)
[
1
]
HIV-1 Protease Mutant, ANAM-11
[
4
]
ADC-7 beta-lactamase (ADC-7)
[
2
]
HIV-1 Protease Mutant, MDR-HM
[
9
]
Aldose Reductase (ALR2) Mutant (L300P)
[
2
]
HIV-1 Protease Mutant, MDR-QM
[
9
]
Aldose reductase (AR)
[
20
]
HIV-1 Protease Mutant, NAM-10
[
4
]
Alpha-fucosidase
[
8
]
hRXRα-LBD⋅9cRA
[
3
]
apocytochrome b562
[
2
]
hRXRα-LBD⋅9cUAB30
[
3
]
BirA Bifunctional Protein
[
7
]
hRXRα-LBD⋅Targretin
[
3
]
BirA Bifunctional Protein Mutant (V214A)
[
3
]
HyHEL-10
[
3
]
BirA Bifunctional Protein Mutant (V219A)
[
3
]
HyHEL-10 Fv Mutant (HD32A)
[
1
]
BirA Bifunctional Protein Mutant (W223A)
[
3
]
HyHEL-10 Fv Mutant (HD32E)
[
1
]
Bromodomain protein 4 (BRD4-BD1)
[
2
]
HyHEL-10 Fv Mutant (HD32N)
[
1
]
C-terminal-binding protein 1 (CtBP1)
[
3
]
HyHEL-10 Mutant (AEAF)
[
2
]
C-terminal-binding protein 2 (CtBP2)
[
2
]
HyHEL-10 Mutant (ETKF)
[
2
]
CAM-alpha-lactalbumin
[
6
]
HyHEL-10 Mutant (HY58A)
[
2
]
CAM-BPTI
[
5
]
HyHEL-10 Mutant (HY58F)
[
2
]
CAM-RNase A
[
4
]
HyHEL-10 Mutant (SFSF)
[
2
]
cAMP-activated global transcriptional regulator CRP
[
12
]
HyHEL-5 Fab
[
2
]
Caseinolytic protein C1 (ClpC1 NTD E89A)
[
1
]
HyHEL-5 Mutant(E50D)
[
2
]
Caseinolytic protein C1 (ClpC1 NTD E89Q)
[
1
]
HyHEL-5 Mutant(E50Q)
[
2
]
Caseinolytic protein C1 (ClpC1 NTD F2A)
[
1
]
Inositol 1,3,4,5,6-pentakisphosphate 2-kinase (IPK1)
[
5
]
Caseinolytic protein C1 (ClpC1 NTD F2Y)
[
1
]
Intestinal fatty acid-binding protein (hIFABP)
[
6
]
Caseinolytic protein C1 (ClpC1 NTD F80A)
[
1
]
iso-1-cytochrome c (Cc)
[
13
]
Caseinolytic protein C1 (ClpC1 NTD F80Y)
[
1
]
Leucyl-tRNA synthetase (LeuRS)
[
1
]
Caseinolytic protein C1 (ClpC1 NTD)
[
1
]
Leucyl-tRNA synthetase K510A mutant (K510A)
[
1
]
Caseinolytic protein C1 (ClpC1 NTD-D1)
[
1
]
Leucyl-tRNA synthetase K510E mutant (K510E)
[
1
]
Caseinolytic protein C1 (ClpC1)
[
1
]
Lipoxygenase type I-B (LOX)
[
4
]
Caspase-3
[
8
]
Lysozyme (bobwhite quail)
[
3
]
Caspase-3|IST-1 Complex
[
1
]
Lysozyme (hen egg)
[
57
]
Conantokin-G
[
5
]
Lysozyme (turkey egg)
[
6
]
Conantokin-T
[
4
]
LysP-related transporter STM2200 (STM2200)
[
2
]
cPLA2 C2
[
1
]
Major Urinary Protein (MUP-1)
[
8
]
Cyclin-dependent kinase 2
[
19
]
Mannoprotein ligand-binding domain 2 (Mp1p-LBD2 I332A)
[
1
]
Cyclin-dependent protein kinase 2 (CDK2 WT)
[
1
]
Mannoprotein ligand-binding domain 2 (Mp1p-LBD2 V309D)
[
1
]
Cyclin-dependent protein kinase 2 variant (CDK2 A144C)
[
1
]
Mannoprotein ligand-binding domain 2 (Mp1p-LBD2)
[
2
]
Cyclin-dependent protein kinase 2 variant (CDK2 C118L)
[
1
]
MAP kinase ERK1
[
1
]
Cyclin-dependent protein kinase 2 variant (CDK2 C118L/A144C)
[
1
]
MAP kinase ERK2
[
2
]
Cytochrome P450 Reductase (CPR)
[
5
]
Mcl-1 (residues 172-327)
[
6
]
D1.3 Fv
[
3
]
Methyl-accepting chemotaxis protein (McpS)
[
7
]
D11.15 Fab
[
2
]
Methylthioadenosine Phosphorylase (MTAP)
[
1
]
D11.15 mAb
[
2
]
Na+/H+ exchanger regulatory factor-1 PDZ domain (PDZ1)
[
5
]
D44.1 Fab
[
3
]
Na+/H+ exchanger regulatory factor-1 PDZ domain (PDZ2)
[
5
]
D44.1 mAb
[
4
]
Nuclear receptor REV-ERBβ ligand-binding domain (REV-ERBβ-LBD)
[
2
]
Deoxyribonucleoside 5'-monophosphate N-glycosidase (Rcl)
[
5
]
Outer Membrane Phospholipase A
[
2
]
DNA
[
3
]
peptide ENIFPLE
[
6
]
DNA (D12CA)
[
1
]
peptide HIPPEN
[
7
]
DNA (D12CC)
[
1
]
peptide HIPPENIFPLE
[
9
]
DNA (D12CG)
[
1
]
Phosphoehtnaolamine Methyltransferases 1 (PMT1)
[
18
]
DNA (D12CT)
[
1
]
Phosphoehtnaolamine Methyltransferases 2 (PMT2)
[
9
]
DNA (D9AA)
[
1
]
Phospholipase C-γ1 SH2 domain (PLCC)
[
7
]
DNA (D9AC)
[
1
]
Phospholipase C-γ1 SH2 domain (PLCC_R716E)
[
5
]
DNA (D9AG)
[
1
]
PLD alpha C2
[
1
]
DNA (D9AT)
[
5
]
PLD beta C2
[
2
]
DNA Gyrase
[
4
]
PNA (P12)
[
4
]
DNA(calf thymus)
[
2
]
PNA (P9CT)
[
1
]
Enoyl-ACP Reductase (FabI)
[
13
]
PNA (P9GT)
[
1
]
Enoyl-ACP Reductase (FabI) Mutant (F203L)
[
9
]
PNA (P9TT)
[
1
]
Ephrin type-A receptor 3 ligand binding domain (EphA3-LBD)
[
1
]
PNA(P9)
[
5
]
Ephrin type-A receptor 4 ligand binding domain (D61G/E62G-EphA4-LBD)
[
1
]
Purine nucleoside phosphorylase
[
20
]
Ephrin type-A receptor 4 ligand binding domain (EphA4-LBD)
[
1
]
pY317 (phosphotyrosine polypeptide)
[
5
]
Ephrin type-A receptor 4 ligand binding domain (I159A-EphA4-LBD)
[
1
]
pY317 N(+2)A
[
1
]
Ephrin type-A receptor 4 ligand binding domain (I59A-EphA4-LBD)
[
1
]
pY317 Q(+4)A
[
1
]
Ephrin type-A receptor 4 ligand binding domain (I59G-EphA4-LBD)
[
1
]
pY317 S(-1)A
[
1
]
Ephrin type-A receptor 4 ligand binding domain (I67A-EphA4-LBD)
[
1
]
pY317 V(+1)A
[
1
]
Ephrin type-A receptor 4 ligand binding domain (M164A-EphA4-LBD)
[
1
]
pY317 V(+3)A
[
1
]
Ephrin type-A receptor 4 ligand binding domain (M60A-EphA4-LBD)
[
1
]
Quinone Reductase 2 (QR2)
[
3
]
F9.13.7 Fab
[
4
]
Renin
[
11
]
F9.13.7 mAb
[
4
]
Reverse transcriptase (HIV-1 RT)(1-350)
[
4
]
FAD-Binding Domain
[
1
]
Rho Transcription Termination Factor
[
3
]
Farnesyl Diphosphate Synthase (FPPS)
[
11
]
RNA(23-mer)
[
9
]
ferricytochrome c peroxidase (CcP)
[
13
]
sc1E3
[
9
]
Gcn5-related N-acetyltransferases (GNAT) superfamily protein PA4794 (PA4794)
[
7
]
SecB
[
15
]
Glyoxylate Regulatory Protein (C-AllR)
[
1
]
Serine Hydroxymethyltransferase
[
5
]
Grb2-SH2
[
10
]
Serine/threonine-protein kinase Aurora-B
[
3
]
Guanylyl Cyclase C receptor mAb
[
22
]
Serine/threonine-protein kinase PIM
[
9
]
H1/H5-depleted chromatin
[
2
]
Serine/threonine-protein kinase SRPK1
[
1
]
Haspin (465-798)
[
1
]
Thiol:disulfide interchange protein (DsbA)
[
6
]
Heat Shock Protein 90 (Hsp90)
[
29
]
Thrombin
[
19
]
hIL-1beta
[
9
]
Thymidine Kinase
[
8
]
Histidine-binding periplasmic protein (HisJ)
[
1
]
Thymidine Kinase (TK.dT)
[
4
]
Histone deacetylase 1/3/5/8
[
2
]
Transcriptional Regulator TtgR
[
19
]
Histone deacetylase 8 (HDAC8)
[
6
]
Transcriptional Regulator TtgR Mutant R176G
[
2
]
HIV-1 Nef
[
5
]
Transcriptional Regulator TtgR-DNA
[
4
]
HIV-1 Protease
[
17
]
tRNA synthetase (GlyRS)
[
4
]
HIV-1 Protease A Subtype
[
5
]
Trypsin
[
30
]
HIV-1 Protease A Subtype Mutant (V82F/I84V)
[
5
]
Tubulin
[
2
]
HIV-1 Protease B Subtype
[
5
]
v-Src SH2 Domain
[
4
]
HIV-1 Protease B Subtype Mutant (V82F/I84V)
[
5
]
vnd/NK-2 HD
[
1
]
HIV-1 Protease C Subtype
[
5
]
vnd/NK-2 HD Mutant (H52R/T56W)
[
1
]
HIV-1 Protease C Subtype Mutant (V82F/I84V)
[
5
]
vnd/NK-2 HD Mutant(H52R)
[
1
]