Structure of PDB 6ato Chain A Binding Site BS02 |
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Ligand ID | GSH |
InChI | InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/t5-,6-/m0/s1 |
InChIKey | RWSXRVCMGQZWBV-WDSKDSINSA-N |
SMILES | Software | SMILES |
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ACDLabs 12.01 | O=C(NCC(=O)O)C(NC(=O)CCC(C(=O)O)N)CS | OpenEye OEToolkits 1.7.6 | C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N | CACTVS 3.370 | N[CH](CCC(=O)N[CH](CS)C(=O)NCC(O)=O)C(O)=O | CACTVS 3.370 | N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(O)=O)C(O)=O | OpenEye OEToolkits 1.7.6 | C(CC(=O)NC(CS)C(=O)NCC(=O)O)C(C(=O)O)N |
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Formula | C10 H17 N3 O6 S |
Name | GLUTATHIONE |
ChEMBL | CHEMBL1543 |
DrugBank | DB00143 |
ZINC | ZINC000003830891
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PDB chain | 6ato Chain B Residue 301
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