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GLASS

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GPCR

Name	G-protein coupled bile acid receptor 1
Species	Homo sapiens (Human)
Gene	GPBAR1
Synonym	G-protein coupled receptor GPCR19 TGR5 BG37 G protein-coupled bile acid receptor 1 membrane-type receptor for bile acids M-BAR hGPCR19 hBG37 GPCR19 GPBAR1 GPBA receptor GPR131 [ Show all ]
Disease	Type 2 diabetes Metabolic disorders
Length	330
Amino acid sequence	MTPNSTGEVPSPIPKGALGLSLALASLIITANLLLALGIAWDRRLRSPPAGCFFLSLLLAGLLTGLALPTLPGLWNQSRRGYWSCLLVYLAPNFSFLSLLANLLLVHGERYMAVLRPLQPPGSIRLALLLTWAGPLLFASLPALGWNHWTPGANCSSQAIFPAPYLYLEVYGLLLPAVGAAAFLSVRVLATAHRQLQDICRLERAVCRDEPSALARALTWRQARAQAGAMLLFGLCWGPYVATLLLSVLAYEQRPPLGPGTLLSLLSLGSASAAAVPVAMGLGDQRYTAPWRAAAQRCLQGLWGRASRDSPGPSIAYHPSSQSSVDLDLN
UniProt	Q8TDU6
Protein Data Bank	N/A
GPCR-HGmod model	Q8TDU6
3D structure model	This predicted structure model is from GPCR-EXP Q8TDU6.
BioLiP	N/A
Therapeutic Target Database	T86273
ChEMBL	CHEMBL5409
IUPHAR	37
DrugBank	BE0005788

Ligand

Name	BDBM50437881
Molecular formula	C24H24N2O3
IUPAC name	2-[4-[1-(2-methylphenyl)-3-(2-methylpyridin-4-yl)-3-nitrosopropyl]phenyl]acetic acid
Molecular weight	388.467
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	4.2
Synonyms	N/A
Inchi Key	GGSCWSOJUPJACO-UHFFFAOYSA-N
Inchi ID	InChI=1S/C24H24N2O3/c1-16-5-3-4-6-21(16)22(19-9-7-18(8-10-19)14-24(27)28)15-23(26-29)20-11-12-25-17(2)13-20/h3-13,22-23H,14-15H2,1-2H3,(H,27,28)
PubChem CID	91898728
ChEMBL	N/A
IUPHAR	N/A
BindingDB	50437881
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
EC50	700.0 nM	PMID23831134	BindingDB

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