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Ligand

NameSulfolithocholic acid
Molecular formulaC24H40O6S
IUPAC name(4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3-sulfooxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
Molecular weight456.638
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP5.9
Synonyms3-Hydroxy-cholan-24-oic acid, 3-sulfate (3-.alpha., 5-.beta.)
CHEMBL260315
LMST05020015
CTK4H2814
(4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3-sulfooxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
[ Show all ]
Inchi KeyAXDXVEYHEODSPN-HVATVPOCSA-N
Inchi IDInChI=1S/C24H40O6S/c1-15(4-9-22(25)26)19-7-8-20-18-6-5-16-14-17(30-31(27,28)29)10-12-23(16,2)21(18)11-13-24(19,20)3/h15-21H,4-14H2,1-3H3,(H,25,26)(H,27,28,29)/t15-,16-,17-,18+,19-,20+,21+,23+,24-/m1/s1
PubChem CID451489
ChEMBLCHEMBL260315
IUPHARN/A
BindingDB50375583
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
16598G-protein coupled bile acid receptor 1Q8TDU6GPBAR1Homo sapiens (Human)330

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