Structure of PDB 5duj Chain B Binding Site BS01 |
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| Ligand ID | DGF |
| InChI | InChI=1S/C12H17NO5S/c1-6(15)7(5-14)11-13-9(12(16)17)10(19-11)8-3-2-4-18-8/h5-8,10-11,15H,2-4H2,1H3,(H,16,17)/t6-,7-,8-,10+,11-/m1/s1 |
| InChIKey | FHQOUTNMKXYVEY-MKSGQPMJSA-N |
| SMILES | | Software | SMILES |
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| CACTVS 3.370 | C[C@@H](O)[C@@H](C=O)[C@H]1S[C@@H]([C@H]2CCCO2)C(=N1)C(O)=O | | OpenEye OEToolkits 1.7.6 | C[C@H]([C@@H](C=O)[C@@H]1N=C(C(S1)[C@H]2CCCO2)C(=O)O)O | | OpenEye OEToolkits 1.7.6 | CC(C(C=O)C1N=C(C(S1)C2CCCO2)C(=O)O)O | | CACTVS 3.370 | C[CH](O)[CH](C=O)[CH]1S[CH]([CH]2CCCO2)C(=N1)C(O)=O | | ACDLabs 12.01 | O=C(O)C1=NC(SC1C2OCCC2)C(C=O)C(O)C |
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| Formula | C12 H17 N O5 S |
| Name | (2R,5R)-2-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-5-[(2R)-tetrahydrofuran-2-yl]-2,5-dihydro-1,3-thiazole-4-carboxylic acid;
FAROPENEM PRODUCT, BOUND FORM |
| ChEMBL | |
| DrugBank | |
| ZINC | ZINC000584905526
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| PDB chain | 5duj Chain B Residue 502
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