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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	CHEMBL3234574
Molecular formula	C25H30F3N7O
IUPAC name	(2S)-N-[2-(4-cyanophenyl)ethyl]-1-[6-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)pyrimidin-4-yl]piperidine-2-carboxamide
Molecular weight	501.558
Hydrogen bond acceptor	10
Hydrogen bond donor	1
XlogP	3.7
Synonyms	BDBM50003076
Inchi Key	JNWZPZQICCVLFU-FQEVSTJZSA-N
Inchi ID	InChI=1S/C25H30F3N7O/c1-33-12-14-34(15-13-33)21-16-22(32-24(31-21)25(26,27)28)35-11-3-2-4-20(35)23(36)30-10-9-18-5-7-19(17-29)8-6-18/h5-8,16,20H,2-4,9-15H2,1H3,(H,30,36)/t20-/m0/s1
PubChem CID	90654563
ChEMBL	CHEMBL3234574
IUPHAR	N/A
BindingDB	50003076
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
EC50	20.0 nM	PMID24666203	BindingDB,ChEMBL
Efficacy	100.0 %	PMID24666203	ChEMBL

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