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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

NameCHEMBL3670940
Molecular formulaC26H34N6O
IUPAC name2-amino-1-[4-[(E)-3-[4-[(2-ethyl-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]phenyl]prop-2-enyl]piperazin-1-yl]ethanone
Molecular weight446.599
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP2.7
SynonymsSCHEMBL12802570
US8748435, 11
BDBM123486
SCHEMBL12802568
Inchi KeyPBLJKGCDUKLIGP-AATRIKPKSA-N
Inchi IDInChI=1S/C26H34N6O/c1-4-24-23(26-28-19(2)16-20(3)32(26)29-24)17-22-9-7-21(8-10-22)6-5-11-30-12-14-31(15-13-30)25(33)18-27/h5-10,16H,4,11-15,17-18,27H2,1-3H3/b6-5+
PubChem CID68378943
ChEMBLCHEMBL3670940
IUPHARN/A
BindingDB123486
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC5038.0 nM, NoneBindingDB,ChEMBL

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