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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	CHEMBL1257733
Molecular formula	C24H23BrN2O2S
IUPAC name	2-(4-bromophenyl)-N-[(6,7-dimethoxy-2-thiophen-3-ylquinolin-3-yl)methyl]ethanamine
Molecular weight	483.424
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	5.5
Synonyms	BDBM50327542 SCHEMBL4743290 2-(4-bromophenyl)-n-((6,7-dimethoxy-2-(thiophen-3-yl)quinolin-3-yl)methyl)ethanamine
Inchi Key	ASQJSLCJOKTDDN-UHFFFAOYSA-N
Inchi ID	InChI=1S/C24H23BrN2O2S/c1-28-22-12-18-11-19(14-26-9-7-16-3-5-20(25)6-4-16)24(17-8-10-30-15-17)27-21(18)13-23(22)29-2/h3-6,8,10-13,15,26H,7,9,14H2,1-2H3
PubChem CID	52945575
ChEMBL	CHEMBL1257733
IUPHAR	N/A
BindingDB	50327542
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has a partition coefficient log P greater than 5.

Experimental Data

Parameter	Value	Reference	Database source
IC50	<10000.0 nM	PMID20801037	BindingDB,ChEMBL

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