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Ligand

NameCHEMBL474893
Molecular formulaC28H24F3N3OS
IUPAC name3-methyl-N-[(2S)-2-(1,3-thiazol-2-ylmethylamino)-2,3-dihydro-1H-inden-5-yl]-2-[4-(trifluoromethyl)phenyl]benzamide
Molecular weight507.575
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP6.1
Synonyms(S)-6-methyl-N-(2-(thiazol-2-ylmethylamino)-2,3-dihydro-1H-inden-5-yl)-4''-(trifluoromethyl)biphenyl-2-carboxamide
BDBM50277190
SCHEMBL13591518
Inchi KeyBDOBNHGYFGVFDD-QHCPKHFHSA-N
Inchi IDInChI=1S/C28H24F3N3OS/c1-17-3-2-4-24(26(17)18-5-8-21(9-6-18)28(29,30)31)27(35)34-22-10-7-19-13-23(15-20(19)14-22)33-16-25-32-11-12-36-25/h2-12,14,23,33H,13,15-16H2,1H3,(H,34,35)/t23-/m0/s1
PubChem CID44591268
ChEMBLCHEMBL474893
IUPHARN/A
BindingDB50277190
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
21113Smoothened homologQ99835SMOHomo sapiens (Human)787
21114Smoothened homologP56726SmoMus musculus (Mouse)793

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