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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

NameCHEMBL3675738
Molecular formulaC24H29N7
IUPAC name1-[[1-[4-[(2-ethyl-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]phenyl]pyrazol-4-yl]methyl]azetidin-3-amine
Molecular weight415.545
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP2.6
SynonymsUS8748435, 29
BDBM123504
SCHEMBL12803350
Inchi KeyIXWBQHXFJSGVJN-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H29N7/c1-4-23-22(24-27-16(2)9-17(3)31(24)28-23)10-18-5-7-21(8-6-18)30-13-19(11-26-30)12-29-14-20(25)15-29/h5-9,11,13,20H,4,10,12,14-15,25H2,1-3H3
PubChem CID68379533
ChEMBLCHEMBL3675738
IUPHARN/A
BindingDB123504
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC5021.0 nM, NoneBindingDB,ChEMBL

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