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BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP Tara-3D TM-fold DECOYS POTENTIAL RW/RWplus EvoEF HPSF THE-DB CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13

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GPCR

NameFree fatty acid receptor 4
SpeciesHomo sapiens (Human)
GeneFFAR4
SynonymO3FAR1
G-protein coupled receptor 120
GPR120
G-protein-coupled receptor GT01
G-protein coupled receptor PGR4
[ Show all ]
DiseaseN/A
Length377
Amino acid sequenceMSPECARAAGDAPLRSLEQANRTRFPFFSDVKGDHRLVLAAVETTVLVLIFAVSLLGNVCALVLVARRRRRGATACLVLNLFCADLLFISAIPLVLAVRWTEAWLLGPVACHLLFYVMTLSGSVTILTLAAVSLERMVCIVHLQRGVRGPGRRARAVLLALIWGYSAVAALPLCVFFRVVPQRLPGADQEISICTLIWPTIPGEISWDVSFVTLNFLVPGLVIVISYSKILQTSEHLLDARAVVTHSEITKASRKRLTVSLAYSESHQIRVSQQDFRLFRTLFLLMVSFFIMWSPIIITILLILIQNFKQDLVIWPSLFFWVVAFTFANSALNPILYNMTLCRNEWKKIFCCFWFPEKGAILTDTSVKRNDLSIISG
UniProtQ5NUL3
Protein Data BankN/A
GPCR-HGmod modelQ5NUL3
3D structure modelThis predicted structure model is from GPCR-EXP Q5NUL3.
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL5339
IUPHAR127
DrugBankBE0003399

Ligand

NameCHEMBL3979588
Molecular formulaC20H13FN2O3S
IUPAC name4-[3-(1,1-dioxo-3H-1,2-benzothiazol-2-yl)-5-fluorophenoxy]benzonitrile
Molecular weight380.393
Hydrogen bond acceptor6
Hydrogen bond donor0
XlogP3.5
SynonymsBDBM50196400
Inchi KeyAEESKWDRFZVEKJ-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H13FN2O3S/c21-16-9-17(23-13-15-3-1-2-4-20(15)27(23,24)25)11-19(10-16)26-18-7-5-14(12-22)6-8-18/h1-11H,13H2
PubChem CID134152545
ChEMBLCHEMBL3979588
IUPHARN/A
BindingDB50196400
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
EC501659.59 nMPMID27570890ChEMBL
EC501660.0 nMPMID27570890BindingDB
EC502344.0 nMPMID27570890BindingDB
EC502344.23 nMPMID27570890ChEMBL
Emax29.0 %PMID27570890ChEMBL
Emax87.0 %PMID27570890ChEMBL

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