Structure of PDB 3l9x Chain A Binding Site BS03 |
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| Ligand ID | ESG |
| InChI | InChI=1S/C16H24N4O8S/c1-2-20-12(22)5-10(15(20)26)29-7-9(14(25)18-6-13(23)24)19-11(21)4-3-8(17)16(27)28/h8-10H,2-7,17H2,1H3,(H,18,25)(H,19,21)(H,23,24)(H,27,28)/t8-,9-,10-/m0/s1 |
| InChIKey | QCPAUAAIPLHRLB-GUBZILKMSA-N |
| SMILES | | Software | SMILES |
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| OpenEye OEToolkits 1.7.0 | CCN1C(=O)C[C@@H](C1=O)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N | | CACTVS 3.352 | CCN1C(=O)C[C@H](SC[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)NCC(O)=O)C1=O | | OpenEye OEToolkits 1.7.0 | CCN1C(=O)CC(C1=O)SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N | | CACTVS 3.352 | CCN1C(=O)C[CH](SC[CH](NC(=O)CC[CH](N)C(O)=O)C(=O)NCC(O)=O)C1=O |
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| Formula | C16 H24 N4 O8 S |
| Name | L-gamma-glutamyl-S-[(3S)-1-ethyl-2,5-dioxopyrrolidin-3-yl]-L-cysteinylglycine |
| ChEMBL | |
| DrugBank | |
| ZINC | ZINC000103540716
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| PDB chain | 3l9x Chain B Residue 1177
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| Catalytic site (original residue number in PDB) |
G1107 F1113 H1118 |
| Catalytic site (residue number reindexed from 1) |
G269 F275 H280 |
| Enzyme Commision number |
?
1.6.5.2: NAD(P)H dehydrogenase (quinone). |
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