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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	CHEMBL2181223
Molecular formula	C24H23N3O3
IUPAC name	(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[4-(3-methoxyphenoxy)pyridin-3-yl]methanone
Molecular weight	401.466
Hydrogen bond acceptor	5
Hydrogen bond donor	0
XlogP	3.8
Synonyms	BDBM50399958
Inchi Key	GMYIRAMSQWVPGP-UHFFFAOYSA-N
Inchi ID	InChI=1S/C24H23N3O3/c1-29-18-5-4-6-19(15-18)30-23-11-12-25-16-20(23)24(28)27-14-13-26(17-9-10-17)21-7-2-3-8-22(21)27/h2-8,11-12,15-17H,9-10,13-14H2,1H3
PubChem CID	71455632
ChEMBL	CHEMBL2181223
IUPHAR	N/A
BindingDB	50399958
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	12.0 nM	PMID23148522	BindingDB,ChEMBL

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