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| Ligand ID | CYZ |
| InChI | InChI=1S/C14H16ClN3O4S2/c15-10-5-11-13(6-12(10)23(16,19)20)24(21,22)18-14(17-11)9-4-7-1-2-8(9)3-7/h1-2,5-9,14,17-18H,3-4H2,(H2,16,19,20)/t7-,8+,9-,14-/m0/s1 |
| InChIKey | BOCUKUHCLICSIY-KSCJFIISSA-N |
| SMILES | | Software | SMILES |
|---|
| ACDLabs 10.04 | O=S(=O)(c1c(Cl)cc2c(c1)S(=O)(=O)NC(N2)C4C3C=CC(C3)C4)N | | CACTVS 3.341 | N[S](=O)(=O)c1cc2c(N[C@@H](N[S]2(=O)=O)[C@H]3C[C@@H]4C[C@H]3C=C4)cc1Cl | | CACTVS 3.341 | N[S](=O)(=O)c1cc2c(N[CH](N[S]2(=O)=O)[CH]3C[CH]4C[CH]3C=C4)cc1Cl | | OpenEye OEToolkits 1.5.0 | c1c2c(cc(c1Cl)S(=O)(=O)N)S(=O)(=O)NC(N2)C3CC4CC3C=C4 | | OpenEye OEToolkits 1.5.0 | c1c2c(cc(c1Cl)S(=O)(=O)N)S(=O)(=O)N[C@H](N2)[C@H]3C[C@@H]4C[C@H]3C=C4 |
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| Formula | C14 H16 Cl N3 O4 S2 |
| Name | CYCLOTHIAZIDE;
3-BICYCLO[2.2.1]HEPT-5-EN-2-YL-6-CHLORO-3,4- DIHYDRO-2H-1,2,4-BENZOTHIADIAZINE-7-SULFONAMIDE 1,1 DIOXIDE |
| ChEMBL | |
| DrugBank | |
| ZINC | ZINC000006507050
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| PDB chain | 8fqh Chain A Residue 1302
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[View ligand structure]
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