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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	CHEMBL1777855
Molecular formula	C20H14F6O4
IUPAC name	3-[4-[2-(difluoromethoxy)-4-(trifluoromethyl)phenoxy]-2-fluorophenyl]hex-4-ynoic acid
Molecular weight	432.318
Hydrogen bond acceptor	10
Hydrogen bond donor	1
XlogP	5.7
Synonyms	BDBM50344080 rac-3-(4-(2-(difluoromethoxy)-4-(trifluoromethyl)phenoxy)-2-fluorophenyl)hex-4-ynoic acid
Inchi Key	KAYILIDZNSBIOB-UHFFFAOYSA-N
Inchi ID	InChI=1S/C20H14F6O4/c1-2-3-11(8-18(27)28)14-6-5-13(10-15(14)21)29-16-7-4-12(20(24,25)26)9-17(16)30-19(22)23/h4-7,9-11,19H,8H2,1H3,(H,27,28)
PubChem CID	53248847
ChEMBL	CHEMBL1777855
IUPHAR	N/A
BindingDB	50344080
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	113.0 nM	PMID21514824	BindingDB,ChEMBL
EC50	306.0 nM	PMID21514824	BindingDB,ChEMBL
EC50	349.0 nM	PMID21514824	BindingDB,ChEMBL
IC50	49.0 nM	PMID21514824	BindingDB,ChEMBL

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