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| Ligand ID | 1QL |
| InChI | InChI=1S/C16H19N3O7S2/c1-25-16(8-20,19-11(21)5-10-3-2-4-27-10)14-18-12(13(22)23)9(7-28-14)6-26-15(17)24/h2-4,8,14,18H,5-7H2,1H3,(H2,17,24)(H,19,21)(H,22,23)/t14-,16+/m1/s1 |
| InChIKey | IYZWSAWEHPQLHS-ZBFHGGJFSA-N |
| SMILES | | Software | SMILES |
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| CACTVS 3.370 | CO[C](NC(=O)Cc1sccc1)(C=O)[CH]2NC(=C(COC(N)=O)CS2)C(O)=O | | OpenEye OEToolkits 1.7.6 | COC(C=O)(C1NC(=C(CS1)COC(=O)N)C(=O)O)NC(=O)Cc2cccs2 | | CACTVS 3.370 | CO[C@@](NC(=O)Cc1sccc1)(C=O)[C@@H]2NC(=C(COC(N)=O)CS2)C(O)=O | | ACDLabs 12.01 | O=CC(OC)(NC(=O)Cc1sccc1)C2SCC(=C(N2)C(=O)O)COC(=O)N | | OpenEye OEToolkits 1.7.6 | CO[C@@](C=O)([C@@H]1NC(=C(CS1)COC(=O)N)C(=O)O)NC(=O)Cc2cccs2 |
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| Formula | C16 H19 N3 O7 S2 |
| Name | (2R)-5-[(carbamoyloxy)methyl]-2-{(1S)-1-methoxy-2-oxo-1-[(thiophen-2-ylacetyl)amino]ethyl}-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid;
Cefoxitin, bound form |
| ChEMBL | |
| DrugBank | |
| ZINC |
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| PDB chain | 3mze Chain A Residue 364
[Download ligand structure]
[Download structure with residue number starting from 1]
[View ligand structure]
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