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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

NameCHEMBL3675736
Molecular formulaC25H35N5O2
IUPAC name2-ethyl-3-[[4-[2-[(3R)-3-(methoxymethyl)piperazin-1-yl]ethoxy]phenyl]methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine
Molecular weight437.588
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP3.2
SynonymsUS8748435, 27
BDBM123502
SCHEMBL12802782
Inchi KeyASKLBOTUHCTHEQ-OAQYLSRUSA-N
Inchi IDInChI=1S/C25H35N5O2/c1-5-24-23(25-27-18(2)14-19(3)30(25)28-24)15-20-6-8-22(9-7-20)32-13-12-29-11-10-26-21(16-29)17-31-4/h6-9,14,21,26H,5,10-13,15-17H2,1-4H3/t21-/m1/s1
PubChem CID68379233
ChEMBLCHEMBL3675736
IUPHARN/A
BindingDB123502
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC5059.0 nM, NoneBindingDB,ChEMBL

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