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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	CHEMBL2407937
Molecular formula	C22H22N2O
IUPAC name	3-[4-(dimethylamino)phenyl]-3-phenyl-1-pyridin-4-ylpropan-1-one
Molecular weight	330.431
Hydrogen bond acceptor	3
Hydrogen bond donor	0
XlogP	4.0
Synonyms	BDBM50437898 3-(4-dimethylamino-phenyl)-3-phenyl-1-pyridin-4-yl-propan-1-one BOUMIFMLXHKHKV-UHFFFAOYSA-N SCHEMBL369701
Inchi Key	BOUMIFMLXHKHKV-UHFFFAOYSA-N
Inchi ID	InChI=1S/C22H22N2O/c1-24(2)20-10-8-18(9-11-20)21(17-6-4-3-5-7-17)16-22(25)19-12-14-23-15-13-19/h3-15,21H,16H2,1-2H3
PubChem CID	66668687
ChEMBL	CHEMBL2407937
IUPHAR	N/A
BindingDB	50437898
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	<10000.0 nM	PMID23831134	BindingDB,ChEMBL

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