Structure of PDB 3tv4 Chain B Binding Site BS01 |
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Ligand ID | TV4 |
InChI | InChI=1S/C15H15BrF2N4O3S/c1-2-5-26(24,25)22-11-4-3-10(17)12(13(11)18)15(23)21-8-6-9(16)14(19)20-7-8/h3-4,6-7,22H,2,5H2,1H3,(H2,19,20)(H,21,23) |
InChIKey | OJZKGEWGLIEDBZ-UHFFFAOYSA-N |
SMILES | Software | SMILES |
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ACDLabs 12.01 | Brc2cc(NC(=O)c1c(F)ccc(NS(=O)(=O)CCC)c1F)cnc2N | CACTVS 3.370 | CCC[S](=O)(=O)Nc1ccc(F)c(c1F)C(=O)Nc2cnc(N)c(Br)c2 | OpenEye OEToolkits 1.7.2 | CCCS(=O)(=O)Nc1ccc(c(c1F)C(=O)Nc2cc(c(nc2)N)Br)F |
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Formula | C15 H15 Br F2 N4 O3 S |
Name | N-(6-amino-5-bromopyridin-3-yl)-2,6-difluoro-3-[(propylsulfonyl)amino]benzamide |
ChEMBL | CHEMBL1945020 |
DrugBank | |
ZINC | ZINC000073198117
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PDB chain | 3tv4 Chain B Residue 1
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