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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	CHEMBL2022247
Molecular formula	C25H24O4
IUPAC name	2-[6-[[3-(2,6-dimethylphenyl)phenyl]methoxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid
Molecular weight	388.463
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	5.0
Synonyms	BDBM50382545 SCHEMBL1632685
Inchi Key	CRHVDPHBIBYCLD-UHFFFAOYSA-N
Inchi ID	InChI=1S/C25H24O4/c1-16-5-3-6-17(2)25(16)19-8-4-7-18(11-19)14-28-21-9-10-22-20(12-24(26)27)15-29-23(22)13-21/h3-11,13,20H,12,14-15H2,1-2H3,(H,26,27)
PubChem CID	23111781
ChEMBL	CHEMBL2022247
IUPHAR	N/A
BindingDB	50382545
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Activity	62.58 %	PMID27020683	ChEMBL
Activity	74.37 %	PMID27020683	ChEMBL
EC50	22.0 nM	PMID24900210	BindingDB,ChEMBL
EC50	27.0 nM	PMID22242551	BindingDB,ChEMBL
EC50	38.0 nM	PMID27020683	BindingDB
EC50	38.4 nM	PMID27020683	ChEMBL
Ki	170.0 nM	PMID24900210, PMID22242551	BindingDB,ChEMBL

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