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GPCR

NameFree fatty acid receptor 1
SpeciesHomo sapiens (Human)
GeneFFAR1
SynonymFFA1R
G protein-coupled receptor 40
G-protein coupled receptor 40
GPR40
FFA1 receptor
DiseaseType 2 diabetes
Non-insulin dependent diabetes
Diabetes
Length300
Amino acid sequenceMDLPPQLSFGLYVAAFALGFPLNVLAIRGATAHARLRLTPSLVYALNLGCSDLLLTVSLPLKAVEALASGAWPLPASLCPVFAVAHFFPLYAGGGFLAALSAGRYLGAAFPLGYQAFRRPCYSWGVCAAIWALVLCHLGLVFGLEAPGGWLDHSNTSLGINTPVNGSPVCLEAWDPASAGPARFSLSLLLFFLPLAITAFCYVGCLRALARSGLTHRRKLRAAWVAGGALLTLLLCVGPYNASNVASFLYPNLGGSWRKLGLITGAWSVVLNPLVTGYLGRGPGLKTVCAARTQGGKSQK
UniProtO14842
Protein Data Bank5tzy, 5tzr
GPCR-HGmod modelO14842
3D structure modelThis structure is from PDB ID 5tzy.
BioLiPBL0380462, BL0380463, BL0380464
Therapeutic Target DatabaseT25608
ChEMBLCHEMBL4422
IUPHAR225
DrugBankBE0000688

Ligand

NameGW9508
Molecular formulaC22H21NO3
IUPAC name3-[4-[(3-phenoxyphenyl)methylamino]phenyl]propanoic acid
Molecular weight347.414
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP4.7
Synonyms3-(4-((3-Phenoxybenzyl)amino)phenyl)propanoic acid
3-(4-(3-phenoxybenzylamino)phenyl)propanoic acid
3-(4-{[(3-phenoxyphenyl)methyl]amino}phenyl)propanoic acid
3-[4-(3-Phenoxybenzylamino)phenyl]propanoic acid
4-(3-Phenoxybenzylamino)phenylpropionic acid
[ Show all ]
Inchi KeyDGENZVKCTGIDRZ-UHFFFAOYSA-N
Inchi IDInChI=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 CID11595431
ChEMBLCHEMBL207881
IUPHAR1050
BindingDB22496
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Experimental Data

ParameterValueReferenceDatabase source
%max69.0 %PMID17240142ChEMBL
%max82.0 %PMID16439116ChEMBL
Activity223.0 nMPMID17552505ChEMBL
EC50<30000.0 nMPMID17552505BindingDB,ChEMBL
EC5013.0 nMPMID24835985BindingDB,ChEMBL
EC5028.0 nMPMID27074625BindingDB
EC5028.18 nMPMID22519963, PMID27074625BindingDB,ChEMBL
EC5028.84 nMPMID24900217ChEMBL
EC5047.86 nMPMID18947221, PMID21854074BindingDB,ChEMBL
EC5050.1187 nMPMID16702987IUPHAR
EC5064.57 nMPMID16439116ChEMBL
EC5079.0 nMPMID17240142BindingDB
EC5079.43 nMPMID17240142ChEMBL
EC5087.1 nMPMID24900217ChEMBL
EC50100.0 nMPMID20064714BindingDB,ChEMBL
EC50223.87 nMPMID17552505ChEMBL
EC50316.0 nMPMID25441945BindingDB
EC50316.23 nMPMID25441945ChEMBL
EC501200.0 nMPMID17552505BindingDB,ChEMBL
EC502200.0 nMPMID17552505BindingDB,ChEMBL
EC506800.0 nMPMID17552505BindingDB,ChEMBL
EC5017800.0 nMPMID17552505BindingDB,ChEMBL
Efficacy86.0 %PMID22519963ChEMBL
Efficacy103.0 %PMID24900217ChEMBL
Emax86.0 %PMID27074625ChEMBL
Fold change5.39 -PMID17552505ChEMBL
Fold change6.48 -PMID17552505ChEMBL
Fold change7.35 -PMID17552505ChEMBL
Ki218.78 nMPMID27074625ChEMBL
Ki219.0 nMPMID27074625BindingDB

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