Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
LG3XB2
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| Ligand Name |
[(7-{[2-(3-Morpholin-4-Ylprop-1-Yn-1-Yl)-6-{[4-(Trifluoromethyl)phenyl]ethynyl}pyridin-4-Yl]thio}-2,3-Dihydro-1h-Inden-4-Yl)oxy]acetic Acid
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| Synonyms |
CHEMBL400300; [(7-{[2-(3-Morpholin-4-Ylprop-1-Yn-1-Yl)-6-{[4-(Trifluoromethyl)phenyl]ethynyl}pyridin-4-Yl]thio}-2,3-Dihydro-1h-Inden-4-Yl)oxy]acetic Acid; 4-YL)OXY]ACETIC ACID; BDBM50215122; Q27452011; 1FA; 2-(7-(2-(3-morpholinoprop-1-ynyl)-6-(2-(4-(trifluoromethyl)phenyl)ethynyl)pyridin-4-ylthio)-2,3-dihydro-1H-inden-4-yloxy)acetic acid
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| Structure |
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Download2D MOL |
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| Formula |
C32H27F3N2O4S
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| Canonical SMILES |
C1CC2=C(C=CC(=C2C1)SC3=CC(=NC(=C3)C#CC4=CC=C(C=C4)C(F)(F)F)C#CCN5CCOCC5)OCC(=O)O
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| InChI |
1S/C32H27F3N2O4S/c33-32(34,35)23-9-6-22(7-10-23)8-11-25-20-26(19-24(36-25)3-2-14-37-15-17-40-18-16-37)42-30-13-12-29(41-21-31(38)39)27-4-1-5-28(27)30/h6-7,9-10,12-13,19-20H,1,4-5,14-18,21H2,(H,38,39)
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| InChIKey |
AKQAEZPFLKFQCZ-UHFFFAOYSA-N
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| PubChem Compound ID | ||||
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