Found 6 hits of ki for UniProtKB: P0A9J4 Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kcal/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
2-dehydropantoate 2-reductase
(Escherichia coli (strain K12)) | BDBM50192452
(2'-monophosphoadenosine 5'-diphosphoribose)Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP([O-])(=O)OP([O-])(=O)OCC2OC(O)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1OP([O-])([O-])=O Show InChI InChI=1S/C15H24N5O17P3/c16-12-7-13(18-3-17-12)20(4-19-7)14-11(36-38(25,26)27)9(22)6(34-14)2-33-40(30,31)37-39(28,29)32-1-5-8(21)10(23)15(24)35-5/h3-6,8-11,14-15,21-24H,1-2H2,(H,28,29)(H,30,31)(H2,16,17,18)(H2,25,26,27)/p-4/t5?,6-,8-,9-,10-,11-,14-,15?/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University Chemical Laboratory
Curated by ChEMBL
| Assay Description
Inhibition of Escherichia coli KPR |
J Med Chem 49: 4992-5000 (2006)
Article DOI: 10.1021/jm060490r
BindingDB Entry DOI: 10.7270/Q28S4QQN |
More data for this
Ligand-Target Pair | |
2-dehydropantoate 2-reductase
(Escherichia coli (strain K12)) | BDBM11941
(2,5-ADP | ADENOSINE-2 -5 -DIPHOSPHATE | {[(2R,3R,4...)Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1OP(O)(O)=O |r| Show InChI InChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(25-27(20,21)22)6(16)4(24-10)1-23-26(17,18)19/h2-4,6-7,10,16H,1H2,(H2,11,12,13)(H2,17,18,19)(H2,20,21,22)/t4-,6-,7-,10-/m1/s1 | PDB
MMDB
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MCE
KEGG
MMDB
PC cid
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PDB
UniChem
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Similars
| Article
PubMed
| 2.40E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University Chemical Laboratory
Curated by ChEMBL
| Assay Description
Inhibition of Escherichia coli KPR |
J Med Chem 49: 4992-5000 (2006)
Article DOI: 10.1021/jm060490r
BindingDB Entry DOI: 10.7270/Q28S4QQN |
More data for this
Ligand-Target Pair | |
2-dehydropantoate 2-reductase
(Escherichia coli (strain K12)) | BDBM50366480
(ADENOSINE TRIPHOSPHATE | ATP)Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO[P@](O)(=O)O[P@@](O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
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| Purchase
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| 6.10E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University Chemical Laboratory
Curated by ChEMBL
| Assay Description
Inhibition of Escherichia coli KPR |
J Med Chem 49: 4992-5000 (2006)
Article DOI: 10.1021/jm060490r
BindingDB Entry DOI: 10.7270/Q28S4QQN |
More data for this
Ligand-Target Pair | |
2-dehydropantoate 2-reductase
(Escherichia coli (strain K12)) | BDBM50368125
(ADENOSINE DIPHOSPHATE | ADP)Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO[P@@](O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1 | PDB
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PC cid
PC sid
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| Article
PubMed
| 1.05E+6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University Chemical Laboratory
Curated by ChEMBL
| Assay Description
Inhibition of Escherichia coli KPR |
J Med Chem 49: 4992-5000 (2006)
Article DOI: 10.1021/jm060490r
BindingDB Entry DOI: 10.7270/Q28S4QQN |
More data for this
Ligand-Target Pair | |
2-dehydropantoate 2-reductase
(Escherichia coli (strain K12)) | BDBM18137
(AMP | CHEMBL752 | US11185100, TABLE 7.3 | [(2R,3S,...)Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O Show InChI InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1 | PDB
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CHEMBL
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PC cid
PC sid
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| Article
PubMed
| 6.30E+6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University Chemical Laboratory
Curated by ChEMBL
| Assay Description
Inhibition of Escherichia coli KPR |
J Med Chem 49: 4992-5000 (2006)
Article DOI: 10.1021/jm060490r
BindingDB Entry DOI: 10.7270/Q28S4QQN |
More data for this
Ligand-Target Pair | |
2-dehydropantoate 2-reductase
(Escherichia coli (strain K12)) | BDBM14671
(Fragment 1 | Phosphate | phosphoric acid)Show InChI InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4) | PDB
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PC cid
PC sid
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| Article
PubMed
| 2.70E+7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University Chemical Laboratory
Curated by ChEMBL
| Assay Description
Inhibition of Escherichia coli KPR |
J Med Chem 49: 4992-5000 (2006)
Article DOI: 10.1021/jm060490r
BindingDB Entry DOI: 10.7270/Q28S4QQN |
More data for this
Ligand-Target Pair | |
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