Structure of PDB 2fos Chain A Binding Site BS04 |
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| Ligand ID | B17 |
| InChI | InChI=1S/C17H25N3O9S.Cu/c18-30(26,27)14-3-1-13(2-4-14)17(25)19-5-7-28-9-10-29-8-6-20(11-15(21)22)12-16(23)24;/h1-4H,5-12H2,(H,19,25)(H,21,22)(H,23,24)(H2,18,26,27);/q;+2/p-2 |
| InChIKey | NANOCILFNMRPCU-UHFFFAOYSA-L |
| SMILES | | Software | SMILES |
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| CACTVS 3.385 | N[S](=O)(=O)c1ccc(cc1)C(=O)NCCOCCOCCN2CC(=O)O[Cu]OC(=O)C2 | | OpenEye OEToolkits 2.0.7 | c1cc(ccc1C(=O)NCCOCCOCCN2CC(=O)O[Cu]OC(=O)C2)S(=O)(=O)N | | ACDLabs 10.04 | O=C1O[Cu]OC(=O)CN(C1)CCOCCOCCNC(=O)c2ccc(cc2)S(=O)(=O)N |
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| Formula | C17 H23 Cu N3 O9 S |
| Name | {1-[4-(AMINOSULFONYL)PHENYL]-11-[(CARBOXY-KAPPAO)METHYL]-1-OXO-5,8-DIOXA-2,11-DIAZATRIDECAN-13-OATO(2-)-KAPPAO~13~}COPPER |
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| PDB chain | 2fos Chain A Residue 302
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