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| Ligand ID | WVE |
| InChI | InChI=1S/C18H19ClN2O3S/c19-16-8-10(22)4-6-14(16)18-13-3-1-2-12(13)15-9-11(25(20,23)24)5-7-17(15)21-18/h4-9,12-13,18,21-22H,1-3H2,(H2,20,23,24)/t12-,13+,18-/m1/s1 |
| InChIKey | BCOLVIOJRBHVNW-FHSNZYRGSA-N |
| SMILES | | Software | SMILES |
|---|
| OpenEye OEToolkits 2.0.7 | c1cc(c(cc1O)Cl)C2C3CCCC3c4cc(ccc4N2)S(=O)(=O)N | | CACTVS 3.385 | N[S](=O)(=O)c1ccc2N[C@H]([C@H]3CCC[C@H]3c2c1)c4ccc(O)cc4Cl | | CACTVS 3.385 | N[S](=O)(=O)c1ccc2N[CH]([CH]3CCC[CH]3c2c1)c4ccc(O)cc4Cl | | OpenEye OEToolkits 2.0.7 | c1cc(c(cc1O)Cl)[C@H]2[C@H]3CCC[C@H]3c4cc(ccc4N2)S(=O)(=O)N | | ACDLabs 12.01 | NS(=O)(=O)c1ccc2NC(C3CCCC3c2c1)c1ccc(O)cc1Cl |
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| Formula | C18 H19 Cl N2 O3 S |
| Name | (3aS,4R,9bR)-4-(2-chloro-4-hydroxyphenyl)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[c]quinoline-8-sulfonamide |
| ChEMBL | |
| DrugBank | |
| ZINC |
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| PDB chain | 8ev2 Chain B Residue 604
[Download ligand structure]
[Download structure with residue number starting from 1]
[View ligand structure]
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