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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

NameCHEMBL494093
Molecular formulaC17H21N5
IUPAC name4-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[h]quinazolin-2-amine
Molecular weight295.39
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP2.1
SynonymsSCHEMBL4877466
BDBM26392
2,4-diamino-5,6-disubstituted pyrimidine, 6
6-(4-methylpiperazin-1-yl)-3,5-diazatricyclo[8.4.0.0^{2,7}]tetradeca-1(14),2,4,6,10,12-hexaen-4-amine
Inchi KeyCEUMRIVIGREJGB-UHFFFAOYSA-N
Inchi IDInChI=1S/C17H21N5/c1-21-8-10-22(11-9-21)16-14-7-6-12-4-2-3-5-13(12)15(14)19-17(18)20-16/h2-5H,6-11H2,1H3,(H2,18,19,20)
PubChem CID25128822
ChEMBLCHEMBL494093
IUPHARN/A
BindingDB26392
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
EC5015.49 nMPMID18817367ChEMBL
Efficacy76.0 %PMID18817367ChEMBL
Ki5.37 nMPMID18817367ChEMBL
Ki5.4 nMPMID18817367BindingDB

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