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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

NameCHEMBL3675728
Molecular formulaC25H31N5O
IUPAC name(E)-3-[4-[(2-ethyl-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]phenyl]-1-(4-methylpiperazin-1-yl)prop-2-en-1-one
Molecular weight417.557
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP3.6
SynonymsBDBM123493
SCHEMBL12940470
US8748435, 18
Inchi KeyLESNPAAGHHFDTM-ZHACJKMWSA-N
Inchi IDInChI=1S/C25H31N5O/c1-5-23-22(25-26-18(2)16-19(3)30(25)27-23)17-21-8-6-20(7-9-21)10-11-24(31)29-14-12-28(4)13-15-29/h6-11,16H,5,12-15,17H2,1-4H3/b11-10+
PubChem CID86766089
ChEMBLCHEMBL3675728
IUPHARN/A
BindingDB123493
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC5081.0 nM, NoneBindingDB,ChEMBL

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