Structure of PDB 7jxl Chain C Binding Site BS01 |
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Ligand ID | VO7 |
InChI | InChI=1S/C27H31N7O2/c1-6-26(35)30-22-15-23(25(36-5)16-24(22)34(4)14-13-33(2)3)32-27-28-12-11-21(31-27)19-17-29-20-10-8-7-9-18(19)20/h6-12,15-17,29H,1,13-14H2,2-5H3,(H,30,35)(H,28,31,32) |
InChIKey | IQNVEOMHJHBNHC-UHFFFAOYSA-N |
SMILES | Software | SMILES |
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CACTVS 3.385 | COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc2nccc(n2)c3c[nH]c4ccccc34 | OpenEye OEToolkits 2.0.7 | CN(C)CCN(C)c1cc(c(cc1NC(=O)C=C)Nc2nccc(n2)c3c[nH]c4c3cccc4)OC | ACDLabs 12.01 | c1c(NC([C@H]=C)=O)c(cc(c1Nc4nc(c2c3c(nc2)cccc3)ccn4)OC)N(C)CCN(C)C |
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Formula | C27 H31 N7 O2 |
Name | N-(2-{[2-(dimethylamino)ethyl](methyl)amino}-5-{[4-(1H-indol-3-yl)pyrimidin-2-yl]amino}-4-methoxyphenyl)propanamide; AZ5104 |
ChEMBL | CHEMBL3353411 |
DrugBank | |
ZINC | ZINC000147059673
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PDB chain | 7jxl Chain C Residue 1101
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Enzyme Commision number |
2.7.10.1: receptor protein-tyrosine kinase. |
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