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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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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	CHEMBL2181248
Molecular formula	C20H15Cl2N3O2
IUPAC name	[3-(2,5-dichlorophenoxy)pyrazin-2-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
Molecular weight	400.259
Hydrogen bond acceptor	4
Hydrogen bond donor	0
XlogP	4.6
Synonyms	BDBM50399934
Inchi Key	BVJGNHRLBSXPEY-UHFFFAOYSA-N
Inchi ID	InChI=1S/C20H15Cl2N3O2/c21-14-7-8-15(22)17(12-14)27-19-18(23-9-10-24-19)20(26)25-11-3-5-13-4-1-2-6-16(13)25/h1-2,4,6-10,12H,3,5,11H2
PubChem CID	71453904
ChEMBL	CHEMBL2181248
IUPHAR	N/A
BindingDB	50399934
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	5422.0 nM	PMID23148522	BindingDB,ChEMBL

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