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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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GPCR

Name	Free fatty acid receptor 1
Species	Homo sapiens (Human)
Gene	FFAR1
Synonym	FFA1R G protein-coupled receptor 40 G-protein coupled receptor 40 GPR40 FFA1 receptor
Disease	Type 2 diabetes Non-insulin dependent diabetes Diabetes
Length	300
Amino acid sequence	MDLPPQLSFGLYVAAFALGFPLNVLAIRGATAHARLRLTPSLVYALNLGCSDLLLTVSLPLKAVEALASGAWPLPASLCPVFAVAHFFPLYAGGGFLAALSAGRYLGAAFPLGYQAFRRPCYSWGVCAAIWALVLCHLGLVFGLEAPGGWLDHSNTSLGINTPVNGSPVCLEAWDPASAGPARFSLSLLLFFLPLAITAFCYVGCLRALARSGLTHRRKLRAAWVAGGALLTLLLCVGPYNASNVASFLYPNLGGSWRKLGLITGAWSVVLNPLVTGYLGRGPGLKTVCAARTQGGKSQK
UniProt	O14842
Protein Data Bank	5tzy, 5tzr
GPCR-HGmod model	O14842
3D structure model	This structure is from PDB ID 5tzy.
BioLiP	BL0380462, BL0380463, BL0380464
Therapeutic Target Database	T25608
ChEMBL	CHEMBL4422
IUPHAR	225
DrugBank	BE0000688

Ligand

Name	CHEMBL3979588
Molecular formula	C20H13FN2O3S
IUPAC name	4-[3-(1,1-dioxo-3H-1,2-benzothiazol-2-yl)-5-fluorophenoxy]benzonitrile
Molecular weight	380.393
Hydrogen bond acceptor	6
Hydrogen bond donor	0
XlogP	3.5
Synonyms	BDBM50196400
Inchi Key	AEESKWDRFZVEKJ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C20H13FN2O3S/c21-16-9-17(23-13-15-3-1-2-4-20(15)27(23,24)25)11-19(10-16)26-18-7-5-14(12-22)6-8-18/h1-11H,13H2
PubChem CID	134152545
ChEMBL	CHEMBL3979588
IUPHAR	N/A
BindingDB	50196400
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
IC50	616.6 nM	PMID27570890	ChEMBL
IC50	617.0 nM	PMID27570890	BindingDB
Imax	43.0 %	PMID27570890	ChEMBL

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