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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

NameSCHEMBL606041
Molecular formulaC19H25N5
IUPAC name4-[3-(methylamino)azetidin-1-yl]-9-phenyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-2-amine
Molecular weight323.444
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP2.9
SynonymsCHEMBL1084691
Inchi KeyLOWPMKOPHIPBRS-UHFFFAOYSA-N
Inchi IDInChI=1S/C19H25N5/c1-21-14-11-24(12-14)18-16-10-6-5-9-15(13-7-3-2-4-8-13)17(16)22-19(20)23-18/h2-4,7-8,14-15,21H,5-6,9-12H2,1H3,(H2,20,22,23)
PubChem CID44462953
ChEMBLCHEMBL1084691
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Activity84.0 %PMID20171098ChEMBL
pKb7.26 -PMID20171098ChEMBL

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