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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	CHEMBL2435938
Molecular formula	C28H19ClF6N2O
IUPAC name	N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-chloro-N-[(4-phenylpyridin-3-yl)methyl]benzamide
Molecular weight	548.913
Hydrogen bond acceptor	8
Hydrogen bond donor	0
XlogP	7.3
Synonyms	BDBM50441408
Inchi Key	DFSMRUIVPXSXDX-UHFFFAOYSA-N
Inchi ID	InChI=1S/C28H19ClF6N2O/c29-24-8-6-20(7-9-24)26(38)37(17-21-15-36-11-10-25(21)19-4-2-1-3-5-19)16-18-12-22(27(30,31)32)14-23(13-18)28(33,34)35/h1-15H,16-17H2
PubChem CID	73346391
ChEMBL	CHEMBL2435938
IUPHAR	N/A
BindingDB	50441408
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
Activity	72.0 %	PMID24007860	ChEMBL
EC50	7430.0 nM	PMID24007860	BindingDB,ChEMBL

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