Found 156 hits Enz. Inhib. hit(s) with Target = '2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase' Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kJ/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase
(Escherichia coli (strain K12)) | BDBM50484527
(CHEMBL1928286)Show SMILES Nc1nc2ncc(COP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@H]3O[C@H]([C@H](O)[C@@H]3O)n3cnc4c(N)ncnc34)nc2c(=O)[nH]1 |r| Show InChI InChI=1S/C17H22N10O17P4/c18-12-8-14(22-4-21-12)27(5-23-8)16-11(29)10(28)7(41-16)3-40-46(33,34)43-48(37,38)44-47(35,36)42-45(31,32)39-2-6-1-20-13-9(24-6)15(30)26-17(19)25-13/h1,4-5,7,10-11,16,28-29H,2-3H2,(H,31,32)(H,33,34)(H,35,36)(H,37,38)(H2,18,21,22)(H3,19,20,25,26,30)/t7-,10-,11-,16-/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet 
| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 440 | n/a | n/a | n/a | n/a | n/a | n/a |
National Cancer Institute
Curated by ChEMBL
| Assay Description
Inhibition of Escherichia coli HPPK using [alpha-33P]ATP after 30 mins |
Bioorg Med Chem 20: 4303-9 (2012)
Article DOI: 10.1016/j.bmc.2012.05.060
BindingDB Entry DOI: 10.7270/Q2HM5CBD |
More data for this
Ligand-Target Pair | |
2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase
(Escherichia coli (strain K12)) | BDBM50484527
(CHEMBL1928286)Show SMILES Nc1nc2ncc(COP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@H]3O[C@H]([C@H](O)[C@@H]3O)n3cnc4c(N)ncnc34)nc2c(=O)[nH]1 |r| Show InChI InChI=1S/C17H22N10O17P4/c18-12-8-14(22-4-21-12)27(5-23-8)16-11(29)10(28)7(41-16)3-40-46(33,34)43-48(37,38)44-47(35,36)42-45(31,32)39-2-6-1-20-13-9(24-6)15(30)26-17(19)25-13/h1,4-5,7,10-11,16,28-29H,2-3H2,(H,31,32)(H,33,34)(H,35,36)(H,37,38)(H2,18,21,22)(H3,19,20,25,26,30)/t7-,10-,11-,16-/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 440 | n/a | n/a | n/a | n/a | n/a | n/a |
National Cancer Institute
Curated by ChEMBL
| Assay Description
Inhibition of Escherichia coli HPPK using 6-hydroxymethyl-7,8-dihydropterin as substrate and [32P]-ATP |
Bioorg Med Chem 20: 47-57 (2012)
Article DOI: 10.1016/j.bmc.2011.11.032
BindingDB Entry DOI: 10.7270/Q2HX1GJX |
More data for this
Ligand-Target Pair | |
2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase
(Escherichia coli (strain K12)) | BDBM50484528
(CHEMBL1928285)Show SMILES CC1(C)Nc2nc(N)[nH]c(=O)c2N=C1C(=O)NCCN1CCC(CC1)SC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r,c:13| Show InChI InChI=1S/C26H36N12O5S/c1-26(2)18(33-15-20(36-26)34-25(28)35-22(15)41)23(42)29-5-8-37-6-3-12(4-7-37)44-9-13-16(39)17(40)24(43-13)38-11-32-14-19(27)30-10-31-21(14)38/h10-13,16-17,24,39-40H,3-9H2,1-2H3,(H,29,42)(H2,27,30,31)(H4,28,34,35,36,41)/t13-,16-,17-,24-/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| n/a | n/a | 3.16E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
National Cancer Institute
Curated by ChEMBL
| Assay Description
Inhibition of Escherichia coli HPPK using 6-hydroxymethyl-7,8-dihydropterin as substrate and [32P]-ATP |
Bioorg Med Chem 20: 47-57 (2012)
Article DOI: 10.1016/j.bmc.2011.11.032
BindingDB Entry DOI: 10.7270/Q2HX1GJX |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase
(Escherichia coli (strain K12)) | BDBM50484528
(CHEMBL1928285)Show SMILES CC1(C)Nc2nc(N)[nH]c(=O)c2N=C1C(=O)NCCN1CCC(CC1)SC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r,c:13| Show InChI InChI=1S/C26H36N12O5S/c1-26(2)18(33-15-20(36-26)34-25(28)35-22(15)41)23(42)29-5-8-37-6-3-12(4-7-37)44-9-13-16(39)17(40)24(43-13)38-11-32-14-19(27)30-10-31-21(14)38/h10-13,16-17,24,39-40H,3-9H2,1-2H3,(H,29,42)(H2,27,30,31)(H4,28,34,35,36,41)/t13-,16-,17-,24-/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| n/a | n/a | 3.16E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
National Cancer Institute
Curated by ChEMBL
| Assay Description
Inhibition of Escherichia coli HPPK using [alpha-33P]ATP after 30 mins |
Bioorg Med Chem 20: 4303-9 (2012)
Article DOI: 10.1016/j.bmc.2012.05.060
BindingDB Entry DOI: 10.7270/Q2HM5CBD |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase
(Escherichia coli (strain K12)) | BDBM50485340
(CHEMBL2046607)Show SMILES CC1(C)Nc2nc(N)[nH]c(=O)c2N=C1C(=O)NCC(=O)NCCS(=O)(=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r,c:13| Show InChI InChI=1S/C23H30N12O8S/c1-23(2)15(31-12-17(34-23)32-22(25)33-19(12)39)20(40)27-5-10(36)26-3-4-44(41,42)6-9-13(37)14(38)21(43-9)35-8-30-11-16(24)28-7-29-18(11)35/h7-9,13-14,21,37-38H,3-6H2,1-2H3,(H,26,36)(H,27,40)(H2,24,28,29)(H4,25,32,33,34,39)/t9-,13-,14-,21-/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| n/a | n/a | 9.53E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
National Cancer Institute
Curated by ChEMBL
| Assay Description
Inhibition of Escherichia coli HPPK using [alpha-33P]ATP after 30 mins |
Bioorg Med Chem 20: 4303-9 (2012)
Article DOI: 10.1016/j.bmc.2012.05.060
BindingDB Entry DOI: 10.7270/Q2HM5CBD |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
2-amino-4-hydroxy-6-hydroxymethyldihydropteridine diphosphokinase
(Staphylococcus aureus) | BDBM50031531
(CHEMBL3359162)Show InChI InChI=1S/C12H10FN5OS/c13-7-4-2-1-3-6(7)5-20-12-15-8-9(17-12)16-11(14)18-10(8)19/h1-4H,5H2,(H4,14,15,16,17,18,19) | PDB
KEGG
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.49E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Monash University
Curated by ChEMBL
| Assay Description
Inhibition of Staphylococcus aureus HPPK after 20 mins by luciferase reporter gene assay |
J Med Chem 57: 9612-26 (2014)
Article DOI: 10.1021/jm501417f
BindingDB Entry DOI: 10.7270/Q2HH6MP4 |
More data for this
Ligand-Target Pair | |
2-amino-4-hydroxy-6-hydroxymethyldihydropteridine diphosphokinase
(Staphylococcus aureus) | BDBM50108009
(2-Amino-8-mercapto-1,9-dihydro-purin-6-one | 2-ami...)Show InChI InChI=1S/C5H5N5OS/c6-4-8-2-1(3(11)10-4)7-5(12)9-2/h(H5,6,7,8,9,10,11,12) | PDB
KEGG
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| Purchase
CHEMBL
MMDB
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 4.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Monash University
Curated by ChEMBL
| Assay Description
Inhibition of Staphylococcus aureus HPPK after 20 mins by luciferase reporter gene assay |
J Med Chem 57: 9612-26 (2014)
Article DOI: 10.1021/jm501417f
BindingDB Entry DOI: 10.7270/Q2HH6MP4 |
More data for this
Ligand-Target Pair | |
2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase
(Escherichia coli (strain K12)) | BDBM50031522
(CHEMBL3233207)Show SMILES COc1ccc(cc1)C(=O)CSc1nc2nc(N)[nH]c(=O)c2[nH]1 Show InChI InChI=1S/C14H13N5O3S/c1-22-8-4-2-7(3-5-8)9(20)6-23-14-16-10-11(18-14)17-13(15)19-12(10)21/h2-5H,6H2,1H3,(H4,15,16,17,18,19,21) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | 4.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
St. Jude Children's Research Hospital
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged Escherichia coli HPPK expressed in Escherichia coli using 6-hydroxymethyl-7,8-dihydropterin hydrochloride as substrate after... |
Bioorg Med Chem 22: 2157-65 (2014)
Article DOI: 10.1016/j.bmc.2014.02.022
BindingDB Entry DOI: 10.7270/Q2ST7SSH |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase
(Escherichia coli (strain K12)) | BDBM50497029
(CHEMBL3233208)Show SMILES Cc1cccc(c1)C(=O)CSc1nc2nc(N)[nH]c(=O)c2[nH]1 Show InChI InChI=1S/C14H13N5O2S/c1-7-3-2-4-8(5-7)9(20)6-22-14-16-10-11(18-14)17-13(15)19-12(10)21/h2-5H,6H2,1H3,(H4,15,16,17,18,19,21) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 5.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
St. Jude Children's Research Hospital
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged Escherichia coli HPPK expressed in Escherichia coli using 6-hydroxymethyl-7,8-dihydropterin hydrochloride as substrate after... |
Bioorg Med Chem 22: 2157-65 (2014)
Article DOI: 10.1016/j.bmc.2014.02.022
BindingDB Entry DOI: 10.7270/Q2ST7SSH |
More data for this
Ligand-Target Pair | |
2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase
(Escherichia coli (strain K12)) | BDBM50497030
(CHEMBL3233203)Show SMILES Cc1ccc(cc1)C(=O)CSc1nc2nc(N)[nH]c(=O)c2[nH]1 Show InChI InChI=1S/C14H13N5O2S/c1-7-2-4-8(5-3-7)9(20)6-22-14-16-10-11(18-14)17-13(15)19-12(10)21/h2-5H,6H2,1H3,(H4,15,16,17,18,19,21) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| n/a | n/a | 6.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
St. Jude Children's Research Hospital
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged Escherichia coli HPPK expressed in Escherichia coli using 6-hydroxymethyl-7,8-dihydropterin hydrochloride as substrate after... |
Bioorg Med Chem 22: 2157-65 (2014)
Article DOI: 10.1016/j.bmc.2014.02.022
BindingDB Entry DOI: 10.7270/Q2ST7SSH |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase
(Escherichia coli (strain K12)) | BDBM50497023
(CHEMBL3233205)Show SMILES Nc1nc2nc(SCC(=O)c3ccc(F)cc3)[nH]c2c(=O)[nH]1 Show InChI InChI=1S/C13H10FN5O2S/c14-7-3-1-6(2-4-7)8(20)5-22-13-16-9-10(18-13)17-12(15)19-11(9)21/h1-4H,5H2,(H4,15,16,17,18,19,21) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 7.90E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
St. Jude Children's Research Hospital
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged Escherichia coli HPPK expressed in Escherichia coli using 6-hydroxymethyl-7,8-dihydropterin hydrochloride as substrate after... |
Bioorg Med Chem 22: 2157-65 (2014)
Article DOI: 10.1016/j.bmc.2014.02.022
BindingDB Entry DOI: 10.7270/Q2ST7SSH |
More data for this
Ligand-Target Pair | |
2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase
(Escherichia coli (strain K12)) | BDBM50497024
(CHEMBL3233204)Show SMILES Nc1nc2nc(SCC(=O)c3ccc(O)cc3)[nH]c2c(=O)[nH]1 Show InChI InChI=1S/C13H11N5O3S/c14-12-16-10-9(11(21)18-12)15-13(17-10)22-5-8(20)6-1-3-7(19)4-2-6/h1-4,19H,5H2,(H4,14,15,16,17,18,21) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 8.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
St. Jude Children's Research Hospital
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged Escherichia coli HPPK expressed in Escherichia coli using 6-hydroxymethyl-7,8-dihydropterin hydrochloride as substrate after... |
Bioorg Med Chem 22: 2157-65 (2014)
Article DOI: 10.1016/j.bmc.2014.02.022
BindingDB Entry DOI: 10.7270/Q2ST7SSH |
More data for this
Ligand-Target Pair | |
2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase
(Escherichia coli (strain K12)) | BDBM50497025
(CHEMBL3233206)Show SMILES Nc1nc2nc(SCC(=O)c3ccc(cc3)C#N)[nH]c2c(=O)[nH]1 Show InChI InChI=1S/C14H10N6O2S/c15-5-7-1-3-8(4-2-7)9(21)6-23-14-17-10-11(19-14)18-13(16)20-12(10)22/h1-4H,6H2,(H4,16,17,18,19,20,22) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 8.80E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
St. Jude Children's Research Hospital
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged Escherichia coli HPPK expressed in Escherichia coli using 6-hydroxymethyl-7,8-dihydropterin hydrochloride as substrate after... |
Bioorg Med Chem 22: 2157-65 (2014)
Article DOI: 10.1016/j.bmc.2014.02.022
BindingDB Entry DOI: 10.7270/Q2ST7SSH |
More data for this
Ligand-Target Pair | |
2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase
(Escherichia coli (strain K12)) | BDBM50484526
(CHEMBL1928284)Show SMILES Nc1nc2ncc(CNCCN3CCC(CC3)SC[C@H]3O[C@H]([C@H](O)[C@@H]3O)n3cnc4c(N)ncnc34)nc2c(=O)[nH]1 |r| Show InChI InChI=1S/C24H32N12O4S/c25-19-15-21(30-10-29-19)36(11-31-15)23-18(38)17(37)14(40-23)9-41-13-1-4-35(5-2-13)6-3-27-7-12-8-28-20-16(32-12)22(39)34-24(26)33-20/h8,10-11,13-14,17-18,23,27,37-38H,1-7,9H2,(H2,25,29,30)(H3,26,28,33,34,39)/t14-,17-,18-,23-/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
National Cancer Institute
Curated by ChEMBL
| Assay Description
Inhibition of Escherichia coli HPPK using 6-hydroxymethyl-7,8-dihydropterin as substrate and [32P]-ATP |
Bioorg Med Chem 20: 47-57 (2012)
Article DOI: 10.1016/j.bmc.2011.11.032
BindingDB Entry DOI: 10.7270/Q2HX1GJX |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase
(Escherichia coli (strain K12)) | BDBM50031523
(CHEMBL3233201)Show InChI InChI=1S/C13H11N5O2S/c14-12-16-10-9(11(20)18-12)15-13(17-10)21-6-8(19)7-4-2-1-3-5-7/h1-5H,6H2,(H4,14,15,16,17,18,20) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.39E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
St. Jude Children's Research Hospital
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged Escherichia coli HPPK expressed in Escherichia coli using 6-hydroxymethyl-7,8-dihydropterin hydrochloride as substrate after... |
Bioorg Med Chem 22: 2157-65 (2014)
Article DOI: 10.1016/j.bmc.2014.02.022
BindingDB Entry DOI: 10.7270/Q2ST7SSH |
More data for this
Ligand-Target Pair | |
2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase
(Escherichia coli (strain K12)) | BDBM50497026
(CHEMBL3233209)Show InChI InChI=1S/C14H13N5O2S/c1-7-4-2-3-5-8(7)9(20)6-22-14-16-10-11(18-14)17-13(15)19-12(10)21/h2-5H,6H2,1H3,(H4,15,16,17,18,19,21) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| n/a | n/a | 2.43E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
St. Jude Children's Research Hospital
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged Escherichia coli HPPK expressed in Escherichia coli using 6-hydroxymethyl-7,8-dihydropterin hydrochloride as substrate after... |
Bioorg Med Chem 22: 2157-65 (2014)
Article DOI: 10.1016/j.bmc.2014.02.022
BindingDB Entry DOI: 10.7270/Q2ST7SSH |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase
(Escherichia coli (strain K12)) | BDBM50031533
(CHEMBL3233202)Show InChI InChI=1S/C13H10N6OS/c14-5-7-1-3-8(4-2-7)6-21-13-16-9-10(18-13)17-12(15)19-11(9)20/h1-4H,6H2,(H4,15,16,17,18,19,20) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.54E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
St. Jude Children's Research Hospital
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged Escherichia coli HPPK expressed in Escherichia coli using 6-hydroxymethyl-7,8-dihydropterin hydrochloride as substrate after... |
Bioorg Med Chem 22: 2157-65 (2014)
Article DOI: 10.1016/j.bmc.2014.02.022
BindingDB Entry DOI: 10.7270/Q2ST7SSH |
More data for this
Ligand-Target Pair | |
2-amino-4-hydroxy-6-hydroxymethyldihydropteridine diphosphokinase
(Staphylococcus aureus) | BDBM50031522
(CHEMBL3233207)Show SMILES COc1ccc(cc1)C(=O)CSc1nc2nc(N)[nH]c(=O)c2[nH]1 Show InChI InChI=1S/C14H13N5O3S/c1-22-8-4-2-7(3-5-8)9(20)6-23-14-16-10-11(18-14)17-13(15)19-12(10)21/h2-5H,6H2,1H3,(H4,15,16,17,18,19,21) | PDB
KEGG
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | n/a | 7.66E+4 | n/a | n/a | n/a | n/a | n/a |
Monash University
Curated by ChEMBL
| Assay Description
Binding affinity to Staphylococcus aureus recombinant HPPK by surface plasmon resonance analysis |
J Med Chem 57: 9612-26 (2014)
Article DOI: 10.1021/jm501417f
BindingDB Entry DOI: 10.7270/Q2HH6MP4 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
2-amino-4-hydroxy-6-hydroxymethyldihydropteridine diphosphokinase
(Staphylococcus aureus) | BDBM50031523
(CHEMBL3233201)Show InChI InChI=1S/C13H11N5O2S/c14-12-16-10-9(11(20)18-12)15-13(17-10)21-6-8(19)7-4-2-1-3-5-7/h1-5H,6H2,(H4,14,15,16,17,18,20) | PDB
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| n/a | n/a | n/a | 1.03E+4 | n/a | n/a | n/a | n/a | n/a |
Monash University
Curated by ChEMBL
| Assay Description
Binding affinity to Staphylococcus aureus recombinant HPPK by surface plasmon resonance analysis |
J Med Chem 57: 9612-26 (2014)
Article DOI: 10.1021/jm501417f
BindingDB Entry DOI: 10.7270/Q2HH6MP4 |
More data for this
Ligand-Target Pair | |
2-amino-4-hydroxy-6-hydroxymethyldihydropteridine diphosphokinase
(Staphylococcus aureus) | BDBM50031524
(CHEMBL3233212)Show SMILES CC(Sc1nc2nc(N)[nH]c(=O)c2[nH]1)C(=O)c1ccccc1 Show InChI InChI=1S/C14H13N5O2S/c1-7(10(20)8-5-3-2-4-6-8)22-14-16-9-11(18-14)17-13(15)19-12(9)21/h2-7H,1H3,(H4,15,16,17,18,19,21) | PDB
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| n/a | n/a | n/a | 7.50E+3 | n/a | n/a | n/a | n/a | n/a |
Monash University
Curated by ChEMBL
| Assay Description
Binding affinity to Staphylococcus aureus recombinant HPPK by surface plasmon resonance analysis |
J Med Chem 57: 9612-26 (2014)
Article DOI: 10.1021/jm501417f
BindingDB Entry DOI: 10.7270/Q2HH6MP4 |
More data for this
Ligand-Target Pair | |
2-amino-4-hydroxy-6-hydroxymethyldihydropteridine diphosphokinase
(Staphylococcus aureus) | BDBM50031525
(CHEMBL3233211)Show SMILES COc1ccccc1C(=O)CSc1nc2nc(N)[nH]c(=O)c2[nH]1 Show InChI InChI=1S/C14H13N5O3S/c1-22-9-5-3-2-4-7(9)8(20)6-23-14-16-10-11(18-14)17-13(15)19-12(10)21/h2-5H,6H2,1H3,(H4,15,16,17,18,19,21) | PDB
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| n/a | n/a | n/a | 2.17E+4 | n/a | n/a | n/a | n/a | n/a |
Monash University
Curated by ChEMBL
| Assay Description
Binding affinity to Staphylococcus aureus recombinant HPPK by surface plasmon resonance analysis |
J Med Chem 57: 9612-26 (2014)
Article DOI: 10.1021/jm501417f
BindingDB Entry DOI: 10.7270/Q2HH6MP4 |
More data for this
Ligand-Target Pair | |
2-amino-4-hydroxy-6-hydroxymethyldihydropteridine diphosphokinase
(Staphylococcus aureus) | BDBM50031526
(CHEMBL3359158)Show SMILES Nc1nc2[nH]c(SCC(=O)c3ccc(cc3)-c3ccccc3)nc2c(=O)[nH]1 Show InChI InChI=1S/C19H15N5O2S/c20-18-22-16-15(17(26)24-18)21-19(23-16)27-10-14(25)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-9H,10H2,(H4,20,21,22,23,24,26) | PDB
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| n/a | n/a | n/a | 2.15E+4 | n/a | n/a | n/a | n/a | n/a |
Monash University
Curated by ChEMBL
| Assay Description
Binding affinity to Staphylococcus aureus recombinant HPPK by surface plasmon resonance analysis |
J Med Chem 57: 9612-26 (2014)
Article DOI: 10.1021/jm501417f
BindingDB Entry DOI: 10.7270/Q2HH6MP4 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
2-amino-4-hydroxy-6-hydroxymethyldihydropteridine diphosphokinase
(Staphylococcus aureus) | BDBM50031527
(CHEMBL3359159)Show InChI InChI=1S/C14H15N5O2S/c1-21-9-4-2-8(3-5-9)6-7-22-14-16-10-11(18-14)17-13(15)19-12(10)20/h2-5H,6-7H2,1H3,(H4,15,16,17,18,19,20) | PDB
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| n/a | n/a | n/a | 7.35E+4 | n/a | n/a | n/a | n/a | n/a |
Monash University
Curated by ChEMBL
| Assay Description
Binding affinity to Staphylococcus aureus recombinant HPPK by surface plasmon resonance analysis |
J Med Chem 57: 9612-26 (2014)
Article DOI: 10.1021/jm501417f
BindingDB Entry DOI: 10.7270/Q2HH6MP4 |
More data for this
Ligand-Target Pair | |
2-amino-4-hydroxy-6-hydroxymethyldihydropteridine diphosphokinase
(Staphylococcus aureus) | BDBM50031528
(CHEMBL3359160)Show InChI InChI=1S/C8H9N5O2S/c1-3(14)2-16-8-10-4-5(12-8)11-7(9)13-6(4)15/h2H2,1H3,(H4,9,10,11,12,13,15) | PDB
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| n/a | n/a | n/a | 4.27E+4 | n/a | n/a | n/a | n/a | n/a |
Monash University
Curated by ChEMBL
| Assay Description
Binding affinity to Staphylococcus aureus recombinant HPPK by surface plasmon resonance analysis |
J Med Chem 57: 9612-26 (2014)
Article DOI: 10.1021/jm501417f
BindingDB Entry DOI: 10.7270/Q2HH6MP4 |
More data for this
Ligand-Target Pair | |
2-amino-4-hydroxy-6-hydroxymethyldihydropteridine diphosphokinase
(Staphylococcus aureus) | BDBM50031529
(CHEMBL3359161)Show InChI InChI=1S/C12H11N5OS/c13-11-15-9-8(10(18)17-11)14-12(16-9)19-6-7-4-2-1-3-5-7/h1-5H,6H2,(H4,13,14,15,16,17,18) | PDB
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| n/a | n/a | n/a | 1.35E+4 | n/a | n/a | n/a | n/a | n/a |
Monash University
Curated by ChEMBL
| Assay Description
Binding affinity to Staphylococcus aureus recombinant HPPK by surface plasmon resonance analysis |
J Med Chem 57: 9612-26 (2014)
Article DOI: 10.1021/jm501417f
BindingDB Entry DOI: 10.7270/Q2HH6MP4 |
More data for this
Ligand-Target Pair | |
2-amino-4-hydroxy-6-hydroxymethyldihydropteridine diphosphokinase
(Staphylococcus aureus) | BDBM50031531
(CHEMBL3359162)Show InChI InChI=1S/C12H10FN5OS/c13-7-4-2-1-3-6(7)5-20-12-15-8-9(17-12)16-11(14)18-10(8)19/h1-4H,5H2,(H4,14,15,16,17,18,19) | PDB
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| n/a | n/a | n/a | 4.30E+3 | n/a | n/a | n/a | n/a | n/a |
Monash University
Curated by ChEMBL
| Assay Description
Binding affinity to Staphylococcus aureus recombinant HPPK by surface plasmon resonance analysis |
J Med Chem 57: 9612-26 (2014)
Article DOI: 10.1021/jm501417f
BindingDB Entry DOI: 10.7270/Q2HH6MP4 |
More data for this
Ligand-Target Pair | |
2-amino-4-hydroxy-6-hydroxymethyldihydropteridine diphosphokinase
(Staphylococcus aureus) | BDBM50031532
(CHEMBL3359163)Show SMILES Nc1nc2[nH]c(SCc3ccccc3C(F)(F)F)nc2c(=O)[nH]1 Show InChI InChI=1S/C13H10F3N5OS/c14-13(15,16)7-4-2-1-3-6(7)5-23-12-18-8-9(20-12)19-11(17)21-10(8)22/h1-4H,5H2,(H4,17,18,19,20,21,22) | PDB
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| n/a | n/a | n/a | 7.26E+3 | n/a | n/a | n/a | n/a | n/a |
Monash University
Curated by ChEMBL
| Assay Description
Binding affinity to Staphylococcus aureus recombinant HPPK by surface plasmon resonance analysis |
J Med Chem 57: 9612-26 (2014)
Article DOI: 10.1021/jm501417f
BindingDB Entry DOI: 10.7270/Q2HH6MP4 |
More data for this
Ligand-Target Pair | |
2-amino-4-hydroxy-6-hydroxymethyldihydropteridine diphosphokinase
(Staphylococcus aureus) | BDBM50031533
(CHEMBL3233202)Show InChI InChI=1S/C13H10N6OS/c14-5-7-1-3-8(4-2-7)6-21-13-16-9-10(18-13)17-12(15)19-11(9)20/h1-4H,6H2,(H4,15,16,17,18,19,20) | PDB
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| n/a | n/a | n/a | 1.11E+4 | n/a | n/a | n/a | n/a | n/a |
Monash University
Curated by ChEMBL
| Assay Description
Binding affinity to Staphylococcus aureus recombinant HPPK by surface plasmon resonance analysis |
J Med Chem 57: 9612-26 (2014)
Article DOI: 10.1021/jm501417f
BindingDB Entry DOI: 10.7270/Q2HH6MP4 |
More data for this
Ligand-Target Pair | |
2-amino-4-hydroxy-6-hydroxymethyldihydropteridine diphosphokinase
(Staphylococcus aureus) | BDBM50108009
(2-Amino-8-mercapto-1,9-dihydro-purin-6-one | 2-ami...)Show InChI InChI=1S/C5H5N5OS/c6-4-8-2-1(3(11)10-4)7-5(12)9-2/h(H5,6,7,8,9,10,11,12) | PDB
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| n/a | n/a | n/a | 1.10E+4 | n/a | n/a | n/a | n/a | n/a |
Monash University
Curated by ChEMBL
| Assay Description
Binding affinity to Staphylococcus aureus HPPK by isothermal calorimetry |
J Med Chem 57: 9612-26 (2014)
Article DOI: 10.1021/jm501417f
BindingDB Entry DOI: 10.7270/Q2HH6MP4 |
More data for this
Ligand-Target Pair | |
2-amino-4-hydroxy-6-hydroxymethyldihydropteridine diphosphokinase
(Staphylococcus aureus) | BDBM50108009
(2-Amino-8-mercapto-1,9-dihydro-purin-6-one | 2-ami...)Show InChI InChI=1S/C5H5N5OS/c6-4-8-2-1(3(11)10-4)7-5(12)9-2/h(H5,6,7,8,9,10,11,12) | PDB
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| n/a | n/a | n/a | 1.26E+4 | n/a | n/a | n/a | n/a | n/a |
Monash University
Curated by ChEMBL
| Assay Description
Binding affinity to Staphylococcus aureus recombinant HPPK by surface plasmon resonance analysis in presence of ATP |
J Med Chem 57: 9612-26 (2014)
Article DOI: 10.1021/jm501417f
BindingDB Entry DOI: 10.7270/Q2HH6MP4 |
More data for this
Ligand-Target Pair | |
2-amino-4-hydroxy-6-hydroxymethyldihydropteridine diphosphokinase
(Staphylococcus aureus) | BDBM50031522
(CHEMBL3233207)Show SMILES COc1ccc(cc1)C(=O)CSc1nc2nc(N)[nH]c(=O)c2[nH]1 Show InChI InChI=1S/C14H13N5O3S/c1-22-8-4-2-7(3-5-8)9(20)6-23-14-16-10-11(18-14)17-13(15)19-12(10)21/h2-5H,6H2,1H3,(H4,15,16,17,18,19,21) | PDB
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| n/a | n/a | n/a | 1.09E+3 | n/a | n/a | n/a | n/a | n/a |
Monash University
Curated by ChEMBL
| Assay Description
Binding affinity to Staphylococcus aureus recombinant HPPK by surface plasmon resonance analysis in presence of ATP |
J Med Chem 57: 9612-26 (2014)
Article DOI: 10.1021/jm501417f
BindingDB Entry DOI: 10.7270/Q2HH6MP4 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
2-amino-4-hydroxy-6-hydroxymethyldihydropteridine diphosphokinase
(Staphylococcus aureus) | BDBM50031523
(CHEMBL3233201)Show InChI InChI=1S/C13H11N5O2S/c14-12-16-10-9(11(20)18-12)15-13(17-10)21-6-8(19)7-4-2-1-3-5-7/h1-5H,6H2,(H4,14,15,16,17,18,20) | PDB
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| n/a | n/a | n/a | 1.40E+3 | n/a | n/a | n/a | n/a | n/a |
Monash University
Curated by ChEMBL
| Assay Description
Binding affinity to Staphylococcus aureus recombinant HPPK by surface plasmon resonance analysis in presence of ATP |
J Med Chem 57: 9612-26 (2014)
Article DOI: 10.1021/jm501417f
BindingDB Entry DOI: 10.7270/Q2HH6MP4 |
More data for this
Ligand-Target Pair | |
2-amino-4-hydroxy-6-hydroxymethyldihydropteridine diphosphokinase
(Staphylococcus aureus) | BDBM50031524
(CHEMBL3233212)Show SMILES CC(Sc1nc2nc(N)[nH]c(=O)c2[nH]1)C(=O)c1ccccc1 Show InChI InChI=1S/C14H13N5O2S/c1-7(10(20)8-5-3-2-4-6-8)22-14-16-9-11(18-14)17-13(15)19-12(9)21/h2-7H,1H3,(H4,15,16,17,18,19,21) | PDB
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| n/a | n/a | n/a | 1.90E+3 | n/a | n/a | n/a | n/a | n/a |
Monash University
Curated by ChEMBL
| Assay Description
Binding affinity to Staphylococcus aureus recombinant HPPK by surface plasmon resonance analysis in presence of ATP |
J Med Chem 57: 9612-26 (2014)
Article DOI: 10.1021/jm501417f
BindingDB Entry DOI: 10.7270/Q2HH6MP4 |
More data for this
Ligand-Target Pair | |
2-amino-4-hydroxy-6-hydroxymethyldihydropteridine diphosphokinase
(Staphylococcus aureus) | BDBM50031525
(CHEMBL3233211)Show SMILES COc1ccccc1C(=O)CSc1nc2nc(N)[nH]c(=O)c2[nH]1 Show InChI InChI=1S/C14H13N5O3S/c1-22-9-5-3-2-4-7(9)8(20)6-23-14-16-10-11(18-14)17-13(15)19-12(10)21/h2-5H,6H2,1H3,(H4,15,16,17,18,19,21) | PDB
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| n/a | n/a | n/a | 2.80E+3 | n/a | n/a | n/a | n/a | n/a |
Monash University
Curated by ChEMBL
| Assay Description
Binding affinity to Staphylococcus aureus recombinant HPPK by surface plasmon resonance analysis in presence of ATP |
J Med Chem 57: 9612-26 (2014)
Article DOI: 10.1021/jm501417f
BindingDB Entry DOI: 10.7270/Q2HH6MP4 |
More data for this
Ligand-Target Pair | |
2-amino-4-hydroxy-6-hydroxymethyldihydropteridine diphosphokinase
(Staphylococcus aureus) | BDBM50031526
(CHEMBL3359158)Show SMILES Nc1nc2[nH]c(SCC(=O)c3ccc(cc3)-c3ccccc3)nc2c(=O)[nH]1 Show InChI InChI=1S/C19H15N5O2S/c20-18-22-16-15(17(26)24-18)21-19(23-16)27-10-14(25)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-9H,10H2,(H4,20,21,22,23,24,26) | PDB
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| n/a | n/a | n/a | 810 | n/a | n/a | n/a | n/a | n/a |
Monash University
Curated by ChEMBL
| Assay Description
Binding affinity to Staphylococcus aureus recombinant HPPK by surface plasmon resonance analysis in presence of ATP |
J Med Chem 57: 9612-26 (2014)
Article DOI: 10.1021/jm501417f
BindingDB Entry DOI: 10.7270/Q2HH6MP4 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
2-amino-4-hydroxy-6-hydroxymethyldihydropteridine diphosphokinase
(Staphylococcus aureus) | BDBM50031527
(CHEMBL3359159)Show InChI InChI=1S/C14H15N5O2S/c1-21-9-4-2-8(3-5-9)6-7-22-14-16-10-11(18-14)17-13(15)19-12(10)20/h2-5H,6-7H2,1H3,(H4,15,16,17,18,19,20) | PDB
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| n/a | n/a | n/a | 7.80E+3 | n/a | n/a | n/a | n/a | n/a |
Monash University
Curated by ChEMBL
| Assay Description
Binding affinity to Staphylococcus aureus recombinant HPPK by surface plasmon resonance analysis in presence of ATP |
J Med Chem 57: 9612-26 (2014)
Article DOI: 10.1021/jm501417f
BindingDB Entry DOI: 10.7270/Q2HH6MP4 |
More data for this
Ligand-Target Pair | |
2-amino-4-hydroxy-6-hydroxymethyldihydropteridine diphosphokinase
(Staphylococcus aureus) | BDBM50031528
(CHEMBL3359160)Show InChI InChI=1S/C8H9N5O2S/c1-3(14)2-16-8-10-4-5(12-8)11-7(9)13-6(4)15/h2H2,1H3,(H4,9,10,11,12,13,15) | PDB
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| n/a | n/a | n/a | 1.85E+3 | n/a | n/a | n/a | n/a | n/a |
Monash University
Curated by ChEMBL
| Assay Description
Binding affinity to Staphylococcus aureus recombinant HPPK by surface plasmon resonance analysis in presence of ATP |
J Med Chem 57: 9612-26 (2014)
Article DOI: 10.1021/jm501417f
BindingDB Entry DOI: 10.7270/Q2HH6MP4 |
More data for this
Ligand-Target Pair | |
2-amino-4-hydroxy-6-hydroxymethyldihydropteridine diphosphokinase
(Staphylococcus aureus) | BDBM50031529
(CHEMBL3359161)Show InChI InChI=1S/C12H11N5OS/c13-11-15-9-8(10(18)17-11)14-12(16-9)19-6-7-4-2-1-3-5-7/h1-5H,6H2,(H4,13,14,15,16,17,18) | PDB
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| n/a | n/a | n/a | 1.79E+3 | n/a | n/a | n/a | n/a | n/a |
Monash University
Curated by ChEMBL
| Assay Description
Binding affinity to Staphylococcus aureus recombinant HPPK by surface plasmon resonance analysis in presence of ATP |
J Med Chem 57: 9612-26 (2014)
Article DOI: 10.1021/jm501417f
BindingDB Entry DOI: 10.7270/Q2HH6MP4 |
More data for this
Ligand-Target Pair | |
2-amino-4-hydroxy-6-hydroxymethyldihydropteridine diphosphokinase
(Staphylococcus aureus) | BDBM50031531
(CHEMBL3359162)Show InChI InChI=1S/C12H10FN5OS/c13-7-4-2-1-3-6(7)5-20-12-15-8-9(17-12)16-11(14)18-10(8)19/h1-4H,5H2,(H4,14,15,16,17,18,19) | PDB
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Monash University
Curated by ChEMBL
| Assay Description
Binding affinity to Staphylococcus aureus recombinant HPPK by surface plasmon resonance analysis in presence of ATP |
J Med Chem 57: 9612-26 (2014)
Article DOI: 10.1021/jm501417f
BindingDB Entry DOI: 10.7270/Q2HH6MP4 |
More data for this
Ligand-Target Pair | |
2-amino-4-hydroxy-6-hydroxymethyldihydropteridine diphosphokinase
(Staphylococcus aureus) | BDBM50031532
(CHEMBL3359163)Show SMILES Nc1nc2[nH]c(SCc3ccccc3C(F)(F)F)nc2c(=O)[nH]1 Show InChI InChI=1S/C13H10F3N5OS/c14-13(15,16)7-4-2-1-3-6(7)5-23-12-18-8-9(20-12)19-11(17)21-10(8)22/h1-4H,5H2,(H4,17,18,19,20,21,22) | PDB
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PubMed
| n/a | n/a | n/a | 2.81E+3 | n/a | n/a | n/a | n/a | n/a |
Monash University
Curated by ChEMBL
| Assay Description
Binding affinity to Staphylococcus aureus recombinant HPPK by surface plasmon resonance analysis in presence of ATP |
J Med Chem 57: 9612-26 (2014)
Article DOI: 10.1021/jm501417f
BindingDB Entry DOI: 10.7270/Q2HH6MP4 |
More data for this
Ligand-Target Pair | |
2-amino-4-hydroxy-6-hydroxymethyldihydropteridine diphosphokinase
(Staphylococcus aureus) | BDBM50031533
(CHEMBL3233202)Show InChI InChI=1S/C13H10N6OS/c14-5-7-1-3-8(4-2-7)6-21-13-16-9-10(18-13)17-12(15)19-11(9)20/h1-4H,6H2,(H4,15,16,17,18,19,20) | PDB
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PubMed
| n/a | n/a | n/a | 660 | n/a | n/a | n/a | n/a | n/a |
Monash University
Curated by ChEMBL
| Assay Description
Binding affinity to Staphylococcus aureus recombinant HPPK by surface plasmon resonance analysis in presence of ATP |
J Med Chem 57: 9612-26 (2014)
Article DOI: 10.1021/jm501417f
BindingDB Entry DOI: 10.7270/Q2HH6MP4 |
More data for this
Ligand-Target Pair | |
2-amino-4-hydroxy-6-hydroxymethyldihydropteridine diphosphokinase
(Staphylococcus aureus) | BDBM50108009
(2-Amino-8-mercapto-1,9-dihydro-purin-6-one | 2-ami...)Show InChI InChI=1S/C5H5N5OS/c6-4-8-2-1(3(11)10-4)7-5(12)9-2/h(H5,6,7,8,9,10,11,12) | PDB
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MMDB
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| Article
PubMed
| n/a | n/a | n/a | 1.08E+4 | n/a | n/a | n/a | n/a | n/a |
Monash University
Curated by ChEMBL
| Assay Description
Binding affinity to Staphylococcus aureus recombinant HPPK by surface plasmon resonance analysis |
J Med Chem 57: 9612-26 (2014)
Article DOI: 10.1021/jm501417f
BindingDB Entry DOI: 10.7270/Q2HH6MP4 |
More data for this
Ligand-Target Pair | |
2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase
(Escherichia coli (strain K12)) | BDBM50181514
(CHEMBL3819351)Show InChI InChI=1S/C8H8F3N5O2S/c9-8(10,11)2(17)1-19-7-13-3-4(15-7)14-6(12)16-5(3)18/h2,17H,1H2,(H4,12,13,14,15,16,18) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 9.70E+4 | n/a | n/a | n/a | n/a | n/a |
Monash University
Curated by ChEMBL
| Assay Description
Binding affinity to biotinylated Escherichia coli HPPK expressed in Escherichia coli BL21 (DE3) in presence of 1 mM ATP by SPR assay |
J Med Chem 59: 5248-63 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00002
BindingDB Entry DOI: 10.7270/Q2057HWV |
More data for this
Ligand-Target Pair | |
2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase
(Escherichia coli (strain K12)) | BDBM50181515
(CHEMBL3819144)Show InChI InChI=1S/C8H11N5O3S/c9-7-11-5-4(6(16)13-7)10-8(12-5)17-2-3(15)1-14/h3,14-15H,1-2H2,(H4,9,10,11,12,13,16) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 8.20E+4 | n/a | n/a | n/a | n/a | n/a |
Monash University
Curated by ChEMBL
| Assay Description
Binding affinity to biotinylated Escherichia coli HPPK expressed in Escherichia coli BL21 (DE3) in presence of 1 mM ATP by SPR assay |
J Med Chem 59: 5248-63 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00002
BindingDB Entry DOI: 10.7270/Q2057HWV |
More data for this
Ligand-Target Pair | |
2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase
(Escherichia coli (strain K12)) | BDBM50181516
(CHEMBL3819390)Show InChI InChI=1S/C8H11N5O2S/c9-7-11-5-4(6(15)13-7)10-8(12-5)16-3-1-2-14/h14H,1-3H2,(H4,9,10,11,12,13,15) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 6.80E+4 | n/a | n/a | n/a | n/a | n/a |
Monash University
Curated by ChEMBL
| Assay Description
Binding affinity to biotinylated Escherichia coli HPPK expressed in Escherichia coli BL21 (DE3) in presence of 1 mM ATP by SPR assay |
J Med Chem 59: 5248-63 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00002
BindingDB Entry DOI: 10.7270/Q2057HWV |
More data for this
Ligand-Target Pair | |
2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase
(Escherichia coli (strain K12)) | BDBM50181517
(CHEMBL3818353)Show InChI InChI=1S/C7H9N5O2S/c8-6-10-4-3(5(14)12-6)9-7(11-4)15-2-1-13/h13H,1-2H2,(H4,8,9,10,11,12,14) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 8.92E+4 | n/a | n/a | n/a | n/a | n/a |
Monash University
Curated by ChEMBL
| Assay Description
Binding affinity to biotinylated Escherichia coli HPPK expressed in Escherichia coli BL21 (DE3) in presence of 1 mM ATP by SPR assay |
J Med Chem 59: 5248-63 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00002
BindingDB Entry DOI: 10.7270/Q2057HWV |
More data for this
Ligand-Target Pair | |
2-amino-4-hydroxy-6-hydroxymethyldihydropteridine diphosphokinase
(Staphylococcus aureus) | BDBM50181518
(CHEMBL3819092)Show SMILES Nc1nc2[nH]c(SCc3ccc(F)c(c3)C#N)nc2c(=O)[nH]1 Show InChI InChI=1S/C13H9FN6OS/c14-8-2-1-6(3-7(8)4-15)5-22-13-17-9-10(19-13)18-12(16)20-11(9)21/h1-3H,5H2,(H4,16,17,18,19,20,21) | PDB
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PC sid
UniChem
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| Article
PubMed
| n/a | n/a | n/a | 2.10E+3 | n/a | n/a | n/a | n/a | n/a |
Monash University
Curated by ChEMBL
| Assay Description
Binding affinity to biotinylated Staphylococcus aureus HPPK in presence of 1 mM ATP by SPR assay |
J Med Chem 59: 5248-63 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00002
BindingDB Entry DOI: 10.7270/Q2057HWV |
More data for this
Ligand-Target Pair | |
2-amino-4-hydroxy-6-hydroxymethyldihydropteridine diphosphokinase
(Staphylococcus aureus) | BDBM50181519
(CHEMBL3819017)Show InChI InChI=1S/C13H12FN5OS/c1-6-4-7(2-3-8(6)14)5-21-13-16-9-10(18-13)17-12(15)19-11(9)20/h2-4H,5H2,1H3,(H4,15,16,17,18,19,20) | PDB
KEGG
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PubMed
| n/a | n/a | n/a | 3.60E+3 | n/a | n/a | n/a | n/a | n/a |
Monash University
Curated by ChEMBL
| Assay Description
Binding affinity to biotinylated Staphylococcus aureus HPPK in presence of 1 mM ATP by SPR assay |
J Med Chem 59: 5248-63 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00002
BindingDB Entry DOI: 10.7270/Q2057HWV |
More data for this
Ligand-Target Pair | |
2-amino-4-hydroxy-6-hydroxymethyldihydropteridine diphosphokinase
(Staphylococcus aureus) | BDBM50181520
(CHEMBL3818609)Show InChI InChI=1S/C12H9F2N5OS/c13-6-2-1-5(3-7(6)14)4-21-12-16-8-9(18-12)17-11(15)19-10(8)20/h1-3H,4H2,(H4,15,16,17,18,19,20) | PDB
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PubMed
| n/a | n/a | n/a | 290 | n/a | n/a | n/a | n/a | n/a |
Monash University
Curated by ChEMBL
| Assay Description
Binding affinity to biotinylated Staphylococcus aureus HPPK in presence of 1 mM ATP by SPR assay |
J Med Chem 59: 5248-63 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00002
BindingDB Entry DOI: 10.7270/Q2057HWV |
More data for this
Ligand-Target Pair | |
2-amino-4-hydroxy-6-hydroxymethyldihydropteridine diphosphokinase
(Staphylococcus aureus) | BDBM50181521
(CHEMBL3818603)Show InChI InChI=1S/C13H9FN6OS/c14-8-2-1-6(7(3-8)4-15)5-22-13-17-9-10(19-13)18-12(16)20-11(9)21/h1-3H,5H2,(H4,16,17,18,19,20,21) | PDB
KEGG
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PC sid
UniChem
Similars
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PubMed
| n/a | n/a | n/a | 1.20E+3 | n/a | n/a | n/a | n/a | n/a |
Monash University
Curated by ChEMBL
| Assay Description
Binding affinity to biotinylated Staphylococcus aureus HPPK in presence of 1 mM ATP by SPR assay |
J Med Chem 59: 5248-63 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00002
BindingDB Entry DOI: 10.7270/Q2057HWV |
More data for this
Ligand-Target Pair | |
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