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Name | Murideoxycholic acid |
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Molecular formula | C24H40O4 |
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 weight | 392.58 |
Hydrogen bond acceptor | 4 |
Hydrogen bond donor | 3 |
XlogP | 4.9 |
Synonyms | 3a,6b-Dihydroxy-5b-cholanic acid CHEBI:52030 SCHEMBL236847 3a,6b-Dihydroxycholanoate 6beta-Hydroxylithocholate [ Show all ] |
Inchi Key | DGABKXLVXPYZII-PLYQRAMGSA-N |
Inchi ID | InChI=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 CID | 5283821 |
ChEMBL | CHEMBL272620 |
IUPHAR | N/A |
BindingDB | 50375598 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
59058 | G-protein coupled bile acid receptor 1 | Q8TDU6 | GPBAR1 | Homo sapiens (Human) | 330 |
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