Structure of PDB 6ts7 Chain A Binding Site BS01 |
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Ligand ID | NWE |
InChI | InChI=1S/C24H23NO3/c26-24(27)14-21-5-1-2-7-23(21)28-16-17-4-3-6-19(12-17)20-9-8-18-10-11-25-15-22(18)13-20/h1-9,12-13,25H,10-11,14-16H2,(H,26,27) |
InChIKey | PKSHGMOAJDEGBL-UHFFFAOYSA-N |
SMILES | Software | SMILES |
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OpenEye OEToolkits 2.0.7 | c1ccc(c(c1)CC(=O)O)OCc2cccc(c2)c3ccc4c(c3)CNCC4 | CACTVS 3.385 | OC(=O)Cc1ccccc1OCc2cccc(c2)c3ccc4CCNCc4c3 |
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Formula | C24 H23 N O3 |
Name | 2-[2-[[3-(1,2,3,4-tetrahydroisoquinolin-7-yl)phenyl]methoxy]phenyl]ethanoic acid |
ChEMBL | CHEMBL4637306 |
DrugBank | |
ZINC |
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PDB chain | 6ts7 Chain A Residue 301
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