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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	CHEMBL2435937
Molecular formula	C28H20F6N2O
IUPAC name	N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[(4-phenylpyridin-3-yl)methyl]benzamide
Molecular weight	514.471
Hydrogen bond acceptor	8
Hydrogen bond donor	0
XlogP	6.7
Synonyms	BDBM50441409
Inchi Key	AMZNUIXYHDGXLN-UHFFFAOYSA-N
Inchi ID	InChI=1S/C28H20F6N2O/c29-27(30,31)23-13-19(14-24(15-23)28(32,33)34)17-36(26(37)21-9-5-2-6-10-21)18-22-16-35-12-11-25(22)20-7-3-1-4-8-20/h1-16H,17-18H2
PubChem CID	73355480
ChEMBL	CHEMBL2435937
IUPHAR	N/A
BindingDB	50441409
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	116.0 %	PMID24007860	ChEMBL
EC50	350.0 nM	PMID24007860	BindingDB,ChEMBL

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