Structure of PDB 4fh2 Chain A Binding Site BS03 |
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| Ligand ID | 0RN |
| InChI | InChI=1S/C8H11NO5S/c1-8(2)6(7(11)12)9-4(10)3-5(9)15(8,13)14/h5-6H,3H2,1-2H3,(H,11,12)/t5-,6+/m1/s1 |
| InChIKey | FKENQMMABCRJMK-RITPCOANSA-N |
| SMILES | | Software | SMILES |
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| CACTVS 3.370 | CC1(C)[C@@H](N2[C@@H](CC2=O)[S]1(=O)=O)C(O)=O | | OpenEye OEToolkits 1.7.6 | CC1(C(N2C(S1(=O)=O)CC2=O)C(=O)O)C | | CACTVS 3.370 | CC1(C)[CH](N2[CH](CC2=O)[S]1(=O)=O)C(O)=O | | OpenEye OEToolkits 1.7.6 | CC1([C@@H](N2[C@H](S1(=O)=O)CC2=O)C(=O)O)C | | ACDLabs 12.01 | O=S2(=O)C(C(N1C(=O)CC12)C(=O)O)(C)C |
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| Formula | C8 H11 N O5 S |
| Name | SULBACTAM;
(2S,5R)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid 4,4-dioxide |
| ChEMBL | CHEMBL403 |
| DrugBank | DB09324 |
| ZINC | ZINC000000897244
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| PDB chain | 4fh2 Chain A Residue 303
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