Structure of PDB 6zyq Chain B Binding Site BS03 |
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| Ligand ID | QST |
| InChI | InChI=1S/C10H17NO4S2/c1-4-15-8(14)10(5-16)11-6(7(12)13)9(2,3)17-10/h6,11,16H,4-5H2,1-3H3,(H,12,13)/t6-,10+/m0/s1 |
| InChIKey | PUOMKKVEJFJZFE-QUBYGPBYSA-N |
| SMILES | | Software | SMILES |
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| OpenEye OEToolkits 2.0.7 | CCOC(=O)C1(NC(C(S1)(C)C)C(=O)O)CS | | CACTVS 3.385 | CCOC(=O)[C@]1(CS)N[C@@H](C(O)=O)C(C)(C)S1 | | OpenEye OEToolkits 2.0.7 | CCOC(=O)[C@@]1(N[C@H](C(S1)(C)C)C(=O)O)CS | | CACTVS 3.385 | CCOC(=O)[C]1(CS)N[CH](C(O)=O)C(C)(C)S1 |
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| Formula | C10 H17 N O4 S2 |
| Name | (2~{S},4~{S})-2-ethoxycarbonyl-5,5-dimethyl-2-(sulfanylmethyl)-1,3-thiazolidine-4-carboxylic acid |
| ChEMBL | |
| DrugBank | |
| ZINC |
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| PDB chain | 6zyq Chain B Residue 303
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