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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

NameCHEMBL3675737
Molecular formulaC24H28N6O
IUPAC name1-[[1-[4-[(2-ethyl-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]phenyl]pyrazol-4-yl]methyl]azetidin-3-ol
Molecular weight416.529
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP2.8
SynonymsSCHEMBL12802343
US8748435, 28
BDBM123503
Inchi KeySXYVCAXWIMZRRE-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H28N6O/c1-4-23-22(24-26-16(2)9-17(3)30(24)27-23)10-18-5-7-20(8-6-18)29-13-19(11-25-29)12-28-14-21(31)15-28/h5-9,11,13,21,31H,4,10,12,14-15H2,1-3H3
PubChem CID68378990
ChEMBLCHEMBL3675737
IUPHARN/A
BindingDB123503
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC50118.0 nM, NoneBindingDB,ChEMBL

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