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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

NameCHEMBL3675735
Molecular formulaC28H39N5O3
IUPAC nametert-butyl 4-[2-[4-[(2-ethyl-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]phenoxy]ethyl]piperazine-1-carboxylate
Molecular weight493.652
Hydrogen bond acceptor6
Hydrogen bond donor0
XlogP4.5
SynonymsUS8748435, 26
BDBM123501
SCHEMBL12802670
Inchi KeyXGOWJBHITBLMNG-UHFFFAOYSA-N
Inchi IDInChI=1S/C28H39N5O3/c1-7-25-24(26-29-20(2)18-21(3)33(26)30-25)19-22-8-10-23(11-9-22)35-17-16-31-12-14-32(15-13-31)27(34)36-28(4,5)6/h8-11,18H,7,12-17,19H2,1-6H3
PubChem CID68379171
ChEMBLCHEMBL3675735
IUPHARN/A
BindingDB123501
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC5044.0 nM, NoneBindingDB,ChEMBL

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