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GLASS

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Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
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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	SCHEMBL17418785
Molecular formula	C31H35FN2O5
IUPAC name	(3S)-3-cyclopropyl-3-[3-[[6-[(3,3-dimethylcyclobutyl)methoxy]-5-(2-fluoro-5-methoxyphenyl)pyrazin-2-yl]methoxy]phenyl]propanoic acid
Molecular weight	534.628
Hydrogen bond acceptor	8
Hydrogen bond donor	1
XlogP	5.9
Synonyms	MAWNYSVJWWGRIH-VWLOTQADSA-N BDBM168199 US9688642, 42 (3S)-3-Cyclopropyl-3-(3-((6-((3,3-dimethylcyclobutyl)methoxy)-5-(2-fluoro-5-methoxyphenyl)pyrazin-2-yl)methoxy)phenyl)propanoic acid
Inchi Key	MAWNYSVJWWGRIH-VWLOTQADSA-N
Inchi ID	InChI=1S/C31H35FN2O5/c1-31(2)14-19(15-31)17-39-30-29(26-12-23(37-3)9-10-27(26)32)33-16-22(34-30)18-38-24-6-4-5-21(11-24)25(13-28(35)36)20-7-8-20/h4-6,9-12,16,19-20,25H,7-8,13-15,17-18H2,1-3H3,(H,35,36)/t25-/m0/s1
PubChem CID	118645565
ChEMBL	N/A
IUPHAR	N/A
BindingDB	168199
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons. This ligand has a partition coefficient log P greater than 5.

Experimental Data

Parameter	Value	Reference	Database source
EC50	16.0 nM	N/A	BindingDB

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