Structure of PDB 8to4 Chain D Binding Site BS03 |
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| Ligand ID | IXR |
| InChI | InChI=1S/C19H13N3O3S/c23-16(21-19-20-10-11-26-19)15(12-6-2-1-3-7-12)22-17(24)13-8-4-5-9-14(13)18(22)25/h1-11,15H,(H,20,21,23)/t15-/m1/s1 |
| InChIKey | KTWHIWPHOSEMPP-OAHLLOKOSA-N |
| SMILES | | Software | SMILES |
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| OpenEye OEToolkits 2.0.7 | c1ccc(cc1)C(C(=O)Nc2nccs2)N3C(=O)c4ccccc4C3=O | | OpenEye OEToolkits 2.0.7 | c1ccc(cc1)[C@H](C(=O)Nc2nccs2)N3C(=O)c4ccccc4C3=O | | CACTVS 3.385 | O=C(Nc1sccn1)[C@H](N2C(=O)c3ccccc3C2=O)c4ccccc4 | | CACTVS 3.385 | O=C(Nc1sccn1)[CH](N2C(=O)c3ccccc3C2=O)c4ccccc4 | | ACDLabs 12.01 | O=C(Nc1nccs1)C(c1ccccc1)N1C(=O)c2ccccc2C1=O |
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| Formula | C19 H13 N3 O3 S |
| Name | (2R)-2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-2-phenyl-N-(1,3-thiazol-2-yl)acetamide |
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| DrugBank | |
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| PDB chain | 8to4 Chain D Residue 1103
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