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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	CHEMBL2435929
Molecular formula	C25H20F7N3
IUPAC name	2-[3,5-bis(trifluoromethyl)phenyl]-2-[[4-(2-fluorophenyl)pyridin-3-yl]methyl-propylamino]acetonitrile
Molecular weight	495.445
Hydrogen bond acceptor	10
Hydrogen bond donor	0
XlogP	6.6
Synonyms	BDBM50441399
Inchi Key	CFFCQINDFYKHJG-UHFFFAOYSA-N
Inchi ID	InChI=1S/C25H20F7N3/c1-2-9-35(15-17-14-34-8-7-20(17)21-5-3-4-6-22(21)26)23(13-33)16-10-18(24(27,28)29)12-19(11-16)25(30,31)32/h3-8,10-12,14,23H,2,9,15H2,1H3
PubChem CID	73350993
ChEMBL	CHEMBL2435929
IUPHAR	N/A
BindingDB	50441399
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
Activity	89.0 %	PMID24007860	ChEMBL
EC50	466.0 nM	PMID24007860	BindingDB,ChEMBL

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