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Ligand

NameMurideoxycholic acid
Molecular formulaC24H40O4
IUPAC name(4R)-4-[(3R,5R,6R,8S,9S,10R,13R,14S,17R)-3,6-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
Molecular weight392.58
Hydrogen bond acceptor4
Hydrogen bond donor3
XlogP4.9
Synonyms3a,6b-Dihydroxy-5b-cholan-24-oate
3alpha,6beta-Dihydroxy-5beta-cholan-24-oic Acid
AC1NR33X
3a,6b-Dihydroxy-5b-cholanic acid
CHEBI:52030
[ Show all ]
Inchi KeyDGABKXLVXPYZII-PLYQRAMGSA-N
Inchi IDInChI=1S/C24H40O4/c1-14(4-7-22(27)28)17-5-6-18-16-13-21(26)20-12-15(25)8-10-24(20,3)19(16)9-11-23(17,18)2/h14-21,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15-,16+,17-,18+,19+,20+,21-,23-,24-/m1/s1
PubChem CID5283821
ChEMBLCHEMBL272620
IUPHARN/A
BindingDB50375598
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 1
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GLASS IDNameUniProtGeneSpeciesLength
59058G-protein coupled bile acid receptor 1Q8TDU6GPBAR1Homo sapiens (Human)330

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