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GLASS

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Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
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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	CHEMBL3290718
Molecular formula	C26H21BrClN3O3
IUPAC name	[4-[(2-bromo-6-chloro-3-methyl-1-benzofuran-5-yl)oxy]pyridin-3-yl]-(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)methanone
Molecular weight	538.826
Hydrogen bond acceptor	5
Hydrogen bond donor	0
XlogP	6.3
Synonyms	BDBM50019491 SCHEMBL15933833
Inchi Key	MXKPEBZFAPYPGB-UHFFFAOYSA-N
Inchi ID	InChI=1S/C26H21BrClN3O3/c1-15-17-12-24(19(28)13-23(17)34-25(15)27)33-22-8-9-29-14-18(22)26(32)31-11-10-30(16-6-7-16)20-4-2-3-5-21(20)31/h2-5,8-9,12-14,16H,6-7,10-11H2,1H3
PubChem CID	77846087
ChEMBL	CHEMBL3290718
IUPHAR	N/A
BindingDB	50019491
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons. This ligand has a partition coefficient log P greater than 5.

Experimental Data

Parameter	Value	Reference	Database source
EC50	7.7 nM	PMID24863981	BindingDB,ChEMBL

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