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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	CHEMBL2181255
Molecular formula	C22H18Cl2N4O2
IUPAC name	[4-(2,5-dichlorophenoxy)pyrimidin-5-yl]-(4-prop-2-enyl-2,3-dihydroquinoxalin-1-yl)methanone
Molecular weight	441.312
Hydrogen bond acceptor	5
Hydrogen bond donor	0
XlogP	4.9
Synonyms	BDBM50399956
Inchi Key	DIUSLTNYHUZZEU-UHFFFAOYSA-N
Inchi ID	InChI=1S/C22H18Cl2N4O2/c1-2-9-27-10-11-28(19-6-4-3-5-18(19)27)22(29)16-13-25-14-26-21(16)30-20-12-15(23)7-8-17(20)24/h2-8,12-14H,1,9-11H2
PubChem CID	71452079
ChEMBL	CHEMBL2181255
IUPHAR	N/A
BindingDB	50399956
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	30.0 nM	PMID23148522	BindingDB,ChEMBL

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