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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

NameCHEMBL3670942
Molecular formulaC28H40N6
IUPAC name1-[(2S)-4-[(E)-3-[4-[(2-ethyl-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]phenyl]prop-2-enyl]-1-methylpiperazin-2-yl]-N,N-dimethylmethanamine
Molecular weight460.67
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP4.3
SynonymsBDBM123488
SCHEMBL12940452
US8748435, 13
Inchi KeyKIPXOKRNRHBISV-DRUWVYPFSA-N
Inchi IDInChI=1S/C28H40N6/c1-7-27-26(28-29-21(2)17-22(3)34(28)30-27)18-24-12-10-23(11-13-24)9-8-14-33-16-15-32(6)25(20-33)19-31(4)5/h8-13,17,25H,7,14-16,18-20H2,1-6H3/b9-8+/t25-/m0/s1
PubChem CID86766087
ChEMBLCHEMBL3670942
IUPHARN/A
BindingDB123488
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC507.0 nM, NoneBindingDB,ChEMBL

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