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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	GW9508
Molecular formula	C22H21NO3
IUPAC name	3-[4-[(3-phenoxyphenyl)methylamino]phenyl]propanoic acid
Molecular weight	347.414
Hydrogen bond acceptor	4
Hydrogen bond donor	2
XlogP	4.7
Synonyms	3-(4-((3-Phenoxybenzyl)amino)phenyl)propanoic acid 885101-89-3 AX8208187 CCG-221855 EX-A223 HMS3261P03 LP00551 Q-4542 SR-01000780921-3 3-[4-(3-Phenoxybenzylamino)phenyl]propanoic acid AK-41711 Benzenepropanoic acid, 4-(((3-phenoxyphenyl)methyl)amino)- CHEMBL207881 GW 9508 HMS3650I20 MolPort-009-019-206 s8014 UNII-4T77GYP2CS 4CA-0616 ANW-59227 BRD-K71534238-001-03-5 D08ZYC GW9508, >=98% (HPLC) KB-148639 NCGC00167811-13 SMR000486399 3-(4-(3-phenoxybenzylamino)phenyl)propanoic acid AB0035924 BCP06803 CHEBI:93259 FT-0762512 HMS3269J09 MLS001065626 QCR-210 SW219168-1 Y0374 4-(3-Phenoxybenzylamino)phenylpropionic acid AKOS016002280 Benzenepropanoic acid, 4-[[(3-phenoxyphenyl)methyl]amino]- CS-1286 GW-9508 HMS3653H19 NCGC00167811-01 SC-93652 4T77GYP2CS AOB6172 carboxylic acid agonist, 2 DTXSID70237088 HMS2197G09 KS-000008VB NCGC00261236-01 SR-01000780921 3-(4-{[(3-phenoxyphenyl)methyl]amino}phenyl)propanoic acid AJ-64456 BDBM22496 GTPL1050 HMS3355B18 MLS006010293 RT-013143 Tox21_500551 ZINC13831241 4-[[(3-Phenoxyphenyl)methyl]amino]benzenepropanoic acid AM81256 BN0806 CTK8B8037 HY-15589 NCGC00167811-03 SCHEMBL364468 [ Show all ]
Inchi Key	DGENZVKCTGIDRZ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C22H21NO3/c24-22(25)14-11-17-9-12-19(13-10-17)23-16-18-5-4-8-21(15-18)26-20-6-2-1-3-7-20/h1-10,12-13,15,23H,11,14,16H2,(H,24,25)
PubChem CID	11595431
ChEMBL	CHEMBL207881
IUPHAR	1050
BindingDB	22496
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
%max	69.0 %	PMID17240142	ChEMBL
%max	82.0 %	PMID16439116	ChEMBL
Activity	223.0 nM	PMID17552505	ChEMBL
EC50	<30000.0 nM	PMID17552505	BindingDB,ChEMBL
EC50	13.0 nM	PMID24835985	BindingDB,ChEMBL
EC50	28.0 nM	PMID27074625	BindingDB
EC50	28.18 nM	PMID22519963, PMID27074625	BindingDB,ChEMBL
EC50	28.84 nM	PMID24900217	ChEMBL
EC50	47.86 nM	PMID18947221, PMID21854074	BindingDB,ChEMBL
EC50	50.1187 nM	PMID16702987	IUPHAR
EC50	64.57 nM	PMID16439116	ChEMBL
EC50	79.0 nM	PMID17240142	BindingDB
EC50	79.43 nM	PMID17240142	ChEMBL
EC50	87.1 nM	PMID24900217	ChEMBL
EC50	100.0 nM	PMID20064714	BindingDB,ChEMBL
EC50	223.87 nM	PMID17552505	ChEMBL
EC50	316.0 nM	PMID25441945	BindingDB
EC50	316.23 nM	PMID25441945	ChEMBL
EC50	1200.0 nM	PMID17552505	BindingDB,ChEMBL
EC50	2200.0 nM	PMID17552505	BindingDB,ChEMBL
EC50	6800.0 nM	PMID17552505	BindingDB,ChEMBL
EC50	17800.0 nM	PMID17552505	BindingDB,ChEMBL
Efficacy	86.0 %	PMID22519963	ChEMBL
Efficacy	103.0 %	PMID24900217	ChEMBL
Emax	86.0 %	PMID27074625	ChEMBL
Fold change	5.39 -	PMID17552505	ChEMBL
Fold change	6.48 -	PMID17552505	ChEMBL
Fold change	7.35 -	PMID17552505	ChEMBL
Ki	218.78 nM	PMID27074625	ChEMBL
Ki	219.0 nM	PMID27074625	BindingDB