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GPCR

NameG-protein coupled receptor 4
SpeciesHomo sapiens (Human)
GeneGPR4
SynonymG-protein coupled receptor 19
GPR19
GPR4
DiseaseN/A
Length362
Amino acid sequenceMGNHTWEGCHVDSRVDHLFPPSLYIFVIGVGLPTNCLALWAAYRQVQQRNELGVYLMNLSIADLLYICTLPLWVDYFLHHDNWIHGPGSCKLFGFIFYTNIYISIAFLCCISVDRYLAVAHPLRFARLRRVKTAVAVSSVVWATELGANSAPLFHDELFRDRYNHTFCFEKFPMEGWVAWMNLYRVFVGFLFPWALMLLSYRGILRAVRGSVSTERQEKAKIKRLALSLIAIVLVCFAPYHVLLLSRSAIYLGRPWDCGFEERVFSAYHSSLAFTSLNCVADPILYCLVNEGARSDVAKALHNLLRFLASDKPQEMANASLTLETPLTSKRNSTAKAMTGSWAATPPSQGDQVQLKMLPPAQ
UniProtP46093
Protein Data BankN/A
GPCR-HGmod modelP46093
3D structure modelThis predicted structure model is from GPCR-EXP P46093.
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL3638324
IUPHARN/A
DrugBankN/A

Ligand

NameCHEMBL3670939
Molecular formulaC26H35N5O
IUPAC name2-ethyl-3-[[4-[(E)-3-[(3S)-3-(methoxymethyl)piperazin-1-yl]prop-1-enyl]phenyl]methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine
Molecular weight433.6
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP3.6
SynonymsBDBM123485
SCHEMBL12802196
US8748435, 10
Inchi KeyURCSZENAQPDHMU-YQTDCCHMSA-N
Inchi IDInChI=1S/C26H35N5O/c1-5-25-24(26-28-19(2)15-20(3)31(26)29-25)16-22-10-8-21(9-11-22)7-6-13-30-14-12-27-23(17-30)18-32-4/h6-11,15,23,27H,5,12-14,16-18H2,1-4H3/b7-6+/t23-/m0/s1
PubChem CID68378915
ChEMBLCHEMBL3670939
IUPHARN/A
BindingDB123485
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC5033.0 nM, NoneBindingDB,ChEMBL

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