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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

NameCHEMBL3675745
Molecular formulaC28H35N7O3
IUPAC name(2S)-1-[4-[5-[4-[(2-ethyl-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]phenyl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-3-hydroxy-2-(methylamino)propan-1-one
Molecular weight517.634
Hydrogen bond acceptor8
Hydrogen bond donor2
XlogP2.4
SynonymsBDBM123513
SCHEMBL12802285
US8748435, 38
Inchi KeyZVDIRDYLOZQUEA-DEOSSOPVSA-N
Inchi IDInChI=1S/C28H35N7O3/c1-5-23-22(25-30-17(2)14-18(3)35(25)33-23)15-19-6-8-20(9-7-19)26-31-32-27(38-26)21-10-12-34(13-11-21)28(37)24(16-36)29-4/h6-9,14,21,24,29,36H,5,10-13,15-16H2,1-4H3/t24-/m0/s1
PubChem CID68378961
ChEMBLCHEMBL3675745
IUPHARN/A
BindingDB123513
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Experimental Data

ParameterValueReferenceDatabase source
IC5015.0 nM, NoneBindingDB,ChEMBL

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