Structure of PDB 2foy Chain A Binding Site BS03 |
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| Ligand ID | B30 |
| InChI | InChI=1S/C13H17N3O7S.Cu/c14-24(22,23)10-3-1-9(2-4-10)13(21)15-5-6-16(7-11(17)18)8-12(19)20;/h1-4H,5-8H2,(H,15,21)(H,17,18)(H,19,20)(H2,14,22,23);/q;+2/p-2 |
| InChIKey | IZSCVVCMRVDVFM-UHFFFAOYSA-L |
| SMILES | | Software | SMILES |
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| OpenEye OEToolkits 1.5.0 | c1cc(ccc1C(=O)NCCN2CC(=O)O[Cu]OC(=O)C2)S(=O)(=O)N | | CACTVS 3.341 | N[S](=O)(=O)c1ccc(cc1)C(=O)NCCN2CC(=O)O[Cu]OC(=O)C2 | | ACDLabs 10.04 | O=C1O[Cu]OC(=O)CN(C1)CCNC(=O)c2ccc(cc2)S(=O)(=O)N |
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| Formula | C13 H15 Cu N3 O7 S |
| Name | {2,2'-[(2-{[4-(AMINOSULFONYL)BENZOYL]AMINO}ETHYL)IMINO]DIACETATO(2-)-KAPPAO}COPPER |
| ChEMBL | |
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| PDB chain | 2foy Chain A Residue 313
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