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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	CHEMBL2047160
Molecular formula	C32H35NO6
IUPAC name	2-[(3S)-6-[[3-[2,6-dimethyl-4-[3-(2-oxopyrrolidin-1-yl)propoxy]phenyl]phenyl]methoxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid
Molecular weight	529.633
Hydrogen bond acceptor	6
Hydrogen bond donor	1
XlogP	4.9
Synonyms	BDBM50386791
Inchi Key	BBWSUMXKRYUIHW-RUZDIDTESA-N
Inchi ID	InChI=1S/C32H35NO6/c1-21-14-27(37-13-5-12-33-11-4-8-30(33)34)15-22(2)32(21)24-7-3-6-23(16-24)19-38-26-9-10-28-25(17-31(35)36)20-39-29(28)18-26/h3,6-7,9-10,14-16,18,25H,4-5,8,11-13,17,19-20H2,1-2H3,(H,35,36)/t25-/m1/s1
PubChem CID	57414540
ChEMBL	CHEMBL2047160
IUPHAR	N/A
BindingDB	50386791
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
EC50	17.0 nM	PMID22490067	BindingDB,ChEMBL
Efficacy	107.0 %	PMID22490067	ChEMBL
Ki	31.0 nM	PMID22490067	BindingDB,ChEMBL

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