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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	CHEMBL1688473
Molecular formula	C24H23FO3
IUPAC name	3-[4-[[3-(2,6-dimethylphenyl)phenyl]methoxy]-2-fluorophenyl]propanoic acid
Molecular weight	378.443
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	5.6
Synonyms	BDBM50339476 SCHEMBL1634390 3-{4-[(2'',6''-Dimethylbiphenyl-3-yl)methoxy]-2-fluorophenyl}propanoic Acid 2-Fluoro-4-[3-(2,6-dimethylphenyl)benzyloxy]benzenepropanoic acid
Inchi Key	GOWIOGNRWWZDKB-UHFFFAOYSA-N
Inchi ID	InChI=1S/C24H23FO3/c1-16-5-3-6-17(2)24(16)20-8-4-7-18(13-20)15-28-21-11-9-19(22(25)14-21)10-12-23(26)27/h3-9,11,13-14H,10,12,15H2,1-2H3,(H,26,27)
PubChem CID	51350138
ChEMBL	CHEMBL1688473
IUPHAR	N/A
BindingDB	50339476
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has a partition coefficient log P greater than 5.

Experimental Data

Parameter	Value	Reference	Database source
EC50	5.7 nM	PMID21319751, PMID24900210, PMID22724451	BindingDB,ChEMBL
EC50	6.026 nM	PMID21854074, PMID22724451	ChEMBL
EC50	6.03 nM	PMID21854074, PMID22724451	BindingDB
EC50	7.7 nM	PMID22242551	BindingDB,ChEMBL
EC50	30.0 nM	PMID22428944	BindingDB,ChEMBL
EC50	34.67 nM	PMID22724451	BindingDB,ChEMBL
Efficacy	92.0 %	PMID22724451	ChEMBL
Ki	32.0 nM	PMID22428944, PMID24900210, PMID22242551	BindingDB,ChEMBL

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