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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

NameCHEMBL3670941
Molecular formulaC27H34N8
IUPAC name2-ethyl-5,7-dimethyl-3-[[4-[(E)-3-[4-(1-methyltetrazol-5-yl)piperidin-1-yl]prop-1-enyl]phenyl]methyl]pyrazolo[1,5-a]pyrimidine
Molecular weight470.625
Hydrogen bond acceptor6
Hydrogen bond donor0
XlogP4.3
SynonymsBDBM123487
SCHEMBL12802584
US8748435, 12
Inchi KeyVTIUECBQDXKJEP-VOTSOKGWSA-N
Inchi IDInChI=1S/C27H34N8/c1-5-25-24(27-28-19(2)17-20(3)35(27)30-25)18-22-10-8-21(9-11-22)7-6-14-34-15-12-23(13-16-34)26-29-31-32-33(26)4/h6-11,17,23H,5,12-16,18H2,1-4H3/b7-6+
PubChem CID68379121
ChEMBLCHEMBL3670941
IUPHARN/A
BindingDB123487
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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