Structure of PDB 4old Chain A Binding Site BS01 |
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| Ligand ID | 2UZ |
| InChI | InChI=1S/C7H10N2O4S/c8-4(7(12)13)5-9-3(6(10)11)1-2-14-5/h1,4-5,9H,2,8H2,(H,10,11)(H,12,13)/t4-,5+/m0/s1 |
| InChIKey | ILCKCFSUIJSDAX-CRCLSJGQSA-N |
| SMILES | | Software | SMILES |
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| OpenEye OEToolkits 1.7.6 | C1C=C(NC(S1)C(C(=O)O)N)C(=O)O | | CACTVS 3.370 | N[C@@H]([C@@H]1NC(=CCS1)C(O)=O)C(O)=O | | ACDLabs 12.01 | O=C(O)C(N)C1SCC=C(C(=O)O)N1 | | CACTVS 3.370 | N[CH]([CH]1NC(=CCS1)C(O)=O)C(O)=O |
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| Formula | C7 H10 N2 O4 S |
| Name | (2R)-2-[(R)-amino(carboxy)methyl]-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid;
(6R,7R)-7-amino-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, hydrolyzed form |
| ChEMBL | |
| DrugBank | |
| ZINC | ZINC000103524497
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| PDB chain | 4old Chain A Residue 401
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