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GLASS

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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	CHEMBL2386369
Molecular formula	C21H21FO5S
IUPAC name	3-[2-fluoro-4-[2-[3-(2-methylsulfonylethoxymethyl)phenyl]ethynyl]phenyl]propanoic acid
Molecular weight	404.452
Hydrogen bond acceptor	6
Hydrogen bond donor	1
XlogP	2.8
Synonyms	BDBM50434298
Inchi Key	BBMCULPOTOCQTK-UHFFFAOYSA-N
Inchi ID	InChI=1S/C21H21FO5S/c1-28(25,26)12-11-27-15-18-4-2-3-16(13-18)5-6-17-7-8-19(20(22)14-17)9-10-21(23)24/h2-4,7-8,13-14H,9-12,15H2,1H3,(H,23,24)
PubChem CID	73345870
ChEMBL	CHEMBL2386369
IUPHAR	N/A
BindingDB	50434298
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	363.0 nM	PMID23687558	BindingDB
EC50	363.08 nM	PMID23687558	ChEMBL
Efficacy	93.0 %	PMID23687558	ChEMBL

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