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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	CHEMBL2331652
Molecular formula	C20H24F2N6O2
IUPAC name	6-[3-[6-(1,1-difluoroethyl)pyridin-3-yl]propanoyl]-2-(ethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-4-carboxamide
Molecular weight	418.449
Hydrogen bond acceptor	8
Hydrogen bond donor	2
XlogP	1.1
Synonyms	BDBM50428097
Inchi Key	BUGSLBZKFVTYIA-UHFFFAOYSA-N
Inchi ID	InChI=1S/C20H24F2N6O2/c1-3-24-19-26-14-8-9-28(11-13(14)17(27-19)18(23)30)16(29)7-5-12-4-6-15(25-10-12)20(2,21)22/h4,6,10H,3,5,7-9,11H2,1-2H3,(H2,23,30)(H,24,26,27)
PubChem CID	71540077
ChEMBL	CHEMBL2331652
IUPHAR	N/A
BindingDB	50428097
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	43.0 nM	PMID24900564	BindingDB,ChEMBL
EC50	2990.0 nM	PMID24900564	BindingDB,ChEMBL

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