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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

NameCHEMBL3670938
Molecular formulaC25H33N5
IUPAC name2-ethyl-5,7-dimethyl-3-[[4-[(E)-3-[(3S)-3-methylpiperazin-1-yl]prop-1-enyl]phenyl]methyl]pyrazolo[1,5-a]pyrimidine
Molecular weight403.574
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP4.1
SynonymsBDBM123484
SCHEMBL12802550
US8748435, 9
Inchi KeyAWNNMHAOHAAAAE-GHOSXJJBSA-N
Inchi IDInChI=1S/C25H33N5/c1-5-24-23(25-27-18(2)15-20(4)30(25)28-24)16-22-10-8-21(9-11-22)7-6-13-29-14-12-26-19(3)17-29/h6-11,15,19,26H,5,12-14,16-17H2,1-4H3/b7-6+/t19-/m0/s1
PubChem CID68379102
ChEMBLCHEMBL3670938
IUPHARN/A
BindingDB123484
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC5019.0 nM, NoneBindingDB,ChEMBL

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