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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	CHEMBL2435915
Molecular formula	C20H12ClF7N2O2S
IUPAC name	N-[[2-chloro-4-(2-fluorophenyl)pyridin-3-yl]methyl]-3,5-bis(trifluoromethyl)benzenesulfonamide
Molecular weight	512.827
Hydrogen bond acceptor	11
Hydrogen bond donor	1
XlogP	5.8
Synonyms	BDBM50441394
Inchi Key	FEUNVYLEQIVEAF-UHFFFAOYSA-N
Inchi ID	InChI=1S/C20H12ClF7N2O2S/c21-18-16(14(5-6-29-18)15-3-1-2-4-17(15)22)10-30-33(31,32)13-8-11(19(23,24)25)7-12(9-13)20(26,27)28/h1-9,30H,10H2
PubChem CID	73353938
ChEMBL	CHEMBL2435915
IUPHAR	N/A
BindingDB	50441394
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has more than 10 hydrogen bond acceptor. 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	87.0 %	PMID24007860	ChEMBL
EC50	406.0 nM	PMID24007860	BindingDB,ChEMBL

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