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Ligand

NameBAR501
Molecular formulaC26H46O3
IUPAC name(3R,5S,6S,7S,8S,9S,10S,13R,14S,17R)-6-ethyl-17-[(2R)-5-hydroxypentan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,7-diol
Molecular weight406.651
Hydrogen bond acceptor3
Hydrogen bond donor3
XlogP5.9
Synonyms6beta-Ethyl-5beta-cholane-3alpha,7beta,24-triol
EX-A1733
SCHEMBL19064981
CHEMBL3342082
1632118-69-4
[ Show all ]
Inchi KeyDQBAHTQWQZRMFH-CRPAWOMZSA-N
Inchi IDInChI=1S/C26H46O3/c1-5-18-22-15-17(28)10-12-26(22,4)21-11-13-25(3)19(16(2)7-6-14-27)8-9-20(25)23(21)24(18)29/h16-24,27-29H,5-15H2,1-4H3/t16-,17-,18+,19-,20+,21+,22+,23+,24+,25-,26-/m1/s1
PubChem CID101886302
ChEMBLCHEMBL3342082
IUPHARN/A
BindingDB50028028
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
444289G-protein coupled bile acid receptor 1Q8TDU6GPBAR1Homo sapiens (Human)330

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