Structure of PDB 6atr Chain A Binding Site BS02 |
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| Ligand ID | GSN |
| InChI | InChI=1S/C10H16N4O7S/c11-5(10(19)20)1-2-7(15)13-6(4-22-14-21)9(18)12-3-8(16)17/h5-6H,1-4,11H2,(H,12,18)(H,13,15)(H,16,17)(H,19,20)/p-2/t5-,6-/m0/s1 |
| InChIKey | HYHSBSXUHZOYLX-WDSKDSINSA-L |
| SMILES | | Software | SMILES |
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| OpenEye OEToolkits 1.5.0 | C(CC(=O)N[C@@H](CSN=O)C(=O)NCC(=O)[O-])[C@@H](C(=O)[O-])N | | CACTVS 3.341 | N[C@@H](CCC(=O)N[C@@H](CSN=O)C(=O)NCC([O-])=O)C([O-])=O | | OpenEye OEToolkits 1.5.0 | C(CC(=O)NC(CSN=O)C(=O)NCC(=O)[O-])C(C(=O)[O-])N | | CACTVS 3.341 | N[CH](CCC(=O)N[CH](CSN=O)C(=O)NCC([O-])=O)C([O-])=O | | ACDLabs 10.04 | O=C(NC(C(=O)NCC([O-])=O)CSN=O)CCC(C([O-])=O)N |
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| Formula | C10 H14 N4 O7 S |
| Name | 2-AMINO-5-[1-(CARBOXYLATOMETHYLCARBAMOYL)-2-NITROSOSULFANYL-ETHYL]AMINO-5-OXO-PENTANOATE;
S-NITROSOGLUTATHIONE;
S-NITROSO GAMMA-GLUTAMYLCYSTEINYLGLYCINE |
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| PDB chain | 6atr Chain A Residue 302
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