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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	TUG-770
Molecular formula	C19H14FNO2
IUPAC name	3-[4-[2-[2-(cyanomethyl)phenyl]ethynyl]-2-fluorophenyl]propanoic acid
Molecular weight	307.324
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	3.5
Synonyms	AKOS030235391 DA-45349 TUG 770 1402601-82-4 BDBM50434295 GTPL6483 W-6124 3-(4-{[2-(Cyanomethyl)phenyl]ethynyl}-2-fluorophenyl)propanoic acid CS-1524 QC-4555 BC600433 DTXSID90735197 3-(4-((2-(cyanomethyl)phenyl)ethynyl)-2-fluorophenyl)propanoic acid 4CA-1291 HY-15697 ZINC95930190 AB0095804 D0S0QY SCHEMBL12983515 BCP07966 FT-0722551 TUG770 3-(4-{2-[2-(cyanomethyl)phenyl]ethynyl}-2-fluorophenyl)propanoic acid CHEMBL2386353 KB-145939 [ Show all ]
Inchi Key	KIZUBVPJNPVIIN-UHFFFAOYSA-N
Inchi ID	InChI=1S/C19H14FNO2/c20-18-13-14(6-8-17(18)9-10-19(22)23)5-7-15-3-1-2-4-16(15)11-12-21/h1-4,6,8,13H,9-11H2,(H,22,23)
PubChem CID	66553168
ChEMBL	CHEMBL2386353
IUPHAR	6483
BindingDB	50434295
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
EC50	5.888 nM	PMID27074625	ChEMBL
EC50	5.9 nM	PMID27074625	BindingDB
EC50	6.0 nM	PMID23687558	BindingDB
EC50	6.0 nM	PMID23687558	ChEMBL
EC50	6.166 nM	PMID23687558	ChEMBL
EC50	6.2 nM	PMID23687558	BindingDB
EC50	6.30957 nM	PMID23687558	IUPHAR
EC50	18.62 nM	PMID27074625	ChEMBL
EC50	19.0 nM	PMID27074625	BindingDB
EC50	22.91 nM	PMID23687558	ChEMBL
EC50	23.0 nM	PMID23687558	BindingDB
EC50	26.0 nM	PMID23687558	BindingDB
EC50	26.3 nM	PMID23687558	ChEMBL
Efficacy	102.0 %	PMID23687558	ChEMBL
Ki	85.0 nM	PMID27074625	BindingDB
Ki	85.11 nM	PMID27074625	ChEMBL
Ratio	3.0 -	PMID27074625	ChEMBL
Ratio	15.0 -	PMID27074625	ChEMBL

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