5829 : (3S,9R,10R,13R,17R)-17-[(2R,5S)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-4-methylidene-1,2,3,5,6,7,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ol

Ligand Basic Message
LigandScaffold
ID5829
Name(3S,9R,10R,13R,17R)-17-[(2R,5S)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-4-methylidene-1,2,3,5,6,7,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ol
smileO[C@H]1CC[C@@]2(C)C(C1=C)CCC1=C3CC[C@H]([C@H](C)CC[C@H](CC)C(C)C)[C@@]3(C)CC[C@H]21
weight427
scaffold ID483
scaffold smileC=C1CCCC2C1CCC1=C3CCCC3CCC12
Ligand Activities
NR ProteinProtein NameLigand IDLigand NameEC 50
NR1H4Bile acid receptor5829(3S,9R,10R,13R,17R)-17-[(2R,5S)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-4-methylidene-1,2,3,5,6,7,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ol50.0
Scaffold Activities Statistic

Activities Statistic (4 ligands have same scaffold)