Structure of PDB 3bhm Chain A Binding Site BS01 |
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| Ligand ID | AHE |
| InChI | InChI=1S/C11H19N3O7S/c12-6(11(20)21)1-2-8(16)14-7(4-22-5-15)10(19)13-3-9(17)18/h6-7,15H,1-5,12H2,(H,13,19)(H,14,16)(H,17,18)(H,20,21)/t6-,7-/m0/s1 |
| InChIKey | PIUSLWSYOYFRFR-BQBZGAKWSA-N |
| SMILES | | Software | SMILES |
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| OpenEye OEToolkits 1.5.0 | C(CC(=O)N[C@@H](CSCO)C(=O)NCC(=O)O)[C@@H](C(=O)O)N | | CACTVS 3.341 | N[CH](CCC(=O)N[CH](CSCO)C(=O)NCC(O)=O)C(O)=O | | ACDLabs 10.04 | O=C(NC(C(=O)NCC(=O)O)CSCO)CCC(C(=O)O)N | | OpenEye OEToolkits 1.5.0 | C(CC(=O)NC(CSCO)C(=O)NCC(=O)O)C(C(=O)O)N | | CACTVS 3.341 | N[C@@H](CCC(=O)N[C@@H](CSCO)C(=O)NCC(O)=O)C(O)=O |
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| Formula | C11 H19 N3 O7 S |
| Name | 2-AMINO-4-[1-CARBOXYMETHYL-CARBAMOYL)-2-HYDROXYMETHYLSULFANYL-ETHYLCARBAMOYL]-BUTYRIC ACID;
S-HYDROXYMETHYL GLUTATHIONE |
| ChEMBL | |
| DrugBank | DB04153 |
| ZINC | ZINC000003870218
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| PDB chain | 3bhm Chain A Residue 304
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| Enzyme Commision number |
1.1.1.184: carbonyl reductase (NADPH).
1.1.1.189: prostaglandin-E2 9-reductase.
1.1.1.196: 15-hydroxyprostaglandin-D dehydrogenase (NADP(+)).
1.1.1.197: 15-hydroxyprostaglandin dehydrogenase (NADP(+)).
1.1.1.71: alcohol dehydrogenase [NAD(P)(+)]. |
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Molecular Function |
| GO:0004090 |
carbonyl reductase (NADPH) activity |
| GO:0005515 |
protein binding |
| GO:0008106 |
alcohol dehydrogenase (NADP+) activity |
| GO:0016491 |
oxidoreductase activity |
| GO:0016616 |
oxidoreductase activity, acting on the CH-OH group of donors, NAD or NADP as acceptor |
| GO:0016655 |
oxidoreductase activity, acting on NAD(P)H, quinone or similar compound as acceptor |
| GO:0047020 |
15-hydroxyprostaglandin-D dehydrogenase (NADP+) activity |
| GO:0047021 |
15-hydroxyprostaglandin dehydrogenase (NADP+) activity |
| GO:0050221 |
prostaglandin E2 9-reductase activity |
| GO:0160163 |
S-nitrosoglutathione reductase (NADPH) activity |
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