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GLASS

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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-424
Molecular formula	C18H16O2
IUPAC name	3-[4-[2-(2-methylphenyl)ethynyl]phenyl]propanoic acid
Molecular weight	264.324
Hydrogen bond acceptor	2
Hydrogen bond donor	1
XlogP	4.1
Synonyms	4-(2-Toluylethynyl)Dihydrocinnamic Acid CHEMBL449588 MolPort-009-019-535 TUG-424, >=98% (HPLC) 3-(4-(o-Tolylethynyl)phenyl)propanoic acid DTXSID00648885 SCHEMBL1551461 3-{4-[2-(2-methylphenyl)ethynyl]phenyl}propanoic acid BDBM50275597 J-002071 TUG 424 4-[2-(2-methylphenyl)ethynyl]-benzenepropanoic acid CTK8F0773 NCGC00344089-02 TUG424 3-[4-[(2-Methylphenyl)ethynyl]phenyl]propanoic acid AKOS024457804 GTPL3952 SR-01000946356 KB-81370 1082058-99-8 4-[2-(2-methylphenyl)ethynyl]-benzenepropanoicacid D01CCG RT-017608 ZINC40845846 3-{4-[(2-Methylphenyl)ethynyl]phenyl}propanoic acid B7499 HMS3648E08 SR-01000946356-1 [ Show all ]
Inchi Key	FODHWOBAQBTTFS-UHFFFAOYSA-N
Inchi ID	InChI=1S/C18H16O2/c1-14-4-2-3-5-17(14)12-10-15-6-8-16(9-7-15)11-13-18(19)20/h2-9H,11,13H2,1H3,(H,19,20)
PubChem CID	25150014
ChEMBL	CHEMBL449588
IUPHAR	3952
BindingDB	50275597
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	105.0 %	PMID18947221	ChEMBL
EC50	31.6228 nM	PMID18947221	IUPHAR
EC50	32.0 nM	PMID18947221	BindingDB,ChEMBL
EC50	32.36 nM	PMID18947221	ChEMBL
EC50	45.71 nM	PMID23687558, PMID21854074	BindingDB,ChEMBL
EC50	46.0 nM	PMID23687558, PMID23294321	BindingDB,ChEMBL
EC50	67.61 nM	PMID27074625	ChEMBL
EC50	68.0 nM	PMID27074625	BindingDB
Efficacy	102.0 %	PMID21854074	ChEMBL
Efficacy	103.0 %	PMID23687558	ChEMBL
Emax	100.0 %	PMID27074625	ChEMBL
Ki	630.96 nM	PMID27074625	ChEMBL
Ki	631.0 nM	PMID27074625	BindingDB

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