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GPCR

NameHistamine H4 receptor
SpeciesRattus norvegicus (Rat)
GeneHrh4
SynonymH4 receptor
H4R
HH4R
GPCR105
DiseaseN/A for non-human GPCRs
Length391
Amino acid sequenceMSESNGTDVLPLTAQVPLAFLMSLLAFAITIGNAVVILAFVADRNLRHRSNYFFLNLAISDFFVGVISIPLYIPHTLFNWNFGSGICMFWLITDYLLCTASVYSIVLISYDRYQSVSNAVRYRAQHTGILKIVAQMVAVWILAFLVNGPMILASDSWKNSTNTEECEPGFVTEWYILAITAFLEFLLPVSLVVYFSVQIYWSLWKRGSLSRCPSHAGFIATSSRGTGHSRRTGLACRTSLPGLKEPAASLHSESPRGKSSLLVSLRTHMSGSIIAFKVGSFCRSESPVLHQREHVELLRGRKLARSLAVLLSAFAICWAPYCLFTIVLSTYRRGERPKSIWYSIAFWLQWFNSLINPFLYPLCHRRFQKAFWKILCVTKQPAPSQTQSVSS
UniProtQ91ZY1
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL4468
IUPHAR265
DrugBankN/A

Ligand

NameA-846714
Molecular formulaC16H18N6
IUPAC name4-[2-amino-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]benzonitrile
Molecular weight294.362
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP1.5
SynonymsD08DOG
JMC516547 Compound 2
2-Aminopyrimidine analog., 4
CHEMBL494678
SCHEMBL2166660
[ Show all ]
Inchi KeyQFKQUMBUFVKQBH-UHFFFAOYSA-N
Inchi IDInChI=1S/C16H18N6/c1-21-6-8-22(9-7-21)15-10-14(19-16(18)20-15)13-4-2-12(11-17)3-5-13/h2-5,10H,6-9H2,1H3,(H2,18,19,20)
PubChem CID25130235
ChEMBLCHEMBL494678
IUPHARN/A
BindingDB26229
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
EC5058.88 nMPMID18817367, PMID18811133ChEMBL
EC504677.35 nMPMID18811133ChEMBL
Efficacy64.0 %PMID18817367, PMID18811133ChEMBL
Ki275.0 nMPMID18817367, PMID18811133BindingDB
Ki275.42 nMPMID18817367, PMID18811133ChEMBL
pKb6.21 -PMID18811133ChEMBL

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