Structure of PDB 9c0y Chain A Binding Site BS01 |
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| Ligand ID | A1ATR |
| InChI | InChI=1S/C26H18N2O4S2/c29-25-24(17-20-10-6-7-13-23(20)32-21-11-2-1-3-12-21)33-26(27-25)28-34(30,31)22-15-14-18-8-4-5-9-19(18)16-22/h1-17H,(H,27,28,29)/b24-17- |
| InChIKey | UIPSKQQKIPOXRV-ULJHMMPZSA-N |
| SMILES | | Software | SMILES |
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| CACTVS 3.385 | O=C1N=C(N[S](=O)(=O)c2ccc3ccccc3c2)SC1=Cc4ccccc4Oc5ccccc5 | | OpenEye OEToolkits 2.0.7 | c1ccc(cc1)Oc2ccccc2C=C3C(=O)N=C(S3)NS(=O)(=O)c4ccc5ccccc5c4 | | CACTVS 3.385 | O=C/1N=C(N[S](=O)(=O)c2ccc3ccccc3c2)SC/1=C/c4ccccc4Oc5ccccc5 | | ACDLabs 12.01 | O=C1N=C(NS(=O)(=O)c2cc3ccccc3cc2)S\C1=C/c1ccccc1Oc1ccccc1 | | OpenEye OEToolkits 2.0.7 | c1ccc(cc1)Oc2ccccc2/C=C\3/C(=O)N=C(S3)NS(=O)(=O)c4ccc5ccccc5c4 |
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| Formula | C26 H18 N2 O4 S2 |
| Name | N-{(5Z)-4-oxo-5-[(2-phenoxyphenyl)methylidene]-4,5-dihydro-1,3-thiazol-2-yl}naphthalene-2-sulfonamide |
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| PDB chain | 9c0y Chain A Residue 413
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