5906 : (4R)-4-[(3R,6R,7R,10S,13R)-6-benzyl-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid

Ligand Basic Message
LigandScaffold
ID5906
Name(4R)-4-[(3R,6R,7R,10S,13R)-6-benzyl-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
smileOC1[C@H](CC2C=CC=CC=2)C2C[C@@H](CC[C@]2(C)C2CC[C@]3(C)C([C@H](C)CCC(=O)O)CCC3C21)O
weight483
scaffold ID1550
scaffold smilec1ccc(CC2CC3C4CCCC4CCC3C3CCCCC23)cc1
Ligand Activities
NR ProteinProtein NameLigand IDLigand NameEC 50
NR1H4Bile acid receptor5906(4R)-4-[(3R,6R,7R,10S,13R)-6-benzyl-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid30.0
Scaffold Activities Statistic

Activities Statistic (1 ligands have same scaffold)