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GPCR

NameHistamine H4 receptor
SpeciesHomo sapiens (Human)
GeneHRH4
SynonymPfi-013
SP9144
HH4R
H4R
H4 receptor
[ Show all ]
DiseaseAllergic rhinitis
Asthma
Inflammatory disease
Rheumatoid arthritis
Length390
Amino acid sequenceMPDTNSTINLSLSTRVTLAFFMSLVAFAIMLGNALVILAFVVDKNLRHRSSYFFLNLAISDFFVGVISIPLYIPHTLFEWDFGKEICVFWLTTDYLLCTASVYNIVLISYDRYLSVSNAVSYRTQHTGVLKIVTLMVAVWVLAFLVNGPMILVSESWKDEGSECEPGFFSEWYILAITSFLEFVIPVILVAYFNMNIYWSLWKRDHLSRCQSHPGLTAVSSNICGHSFRGRLSSRRSLSASTEVPASFHSERQRRKSSLMFSSRTKMNSNTIASKMGSFSQSDSVALHQREHVELLRARRLAKSLAILLGVFAVCWAPYSLFTIVLSFYSSATGPKSVWYRIAFWLQWFNSFVNPLLYPLCHKRFQKAFLKIFCIKKQPLPSQHSRSVSS
UniProtQ9H3N8
Protein Data BankN/A
GPCR-HGmod modelQ9H3N8
3D structure modelThis predicted structure model is from GPCR-EXP Q9H3N8.
BioLiPN/A
Therapeutic Target DatabaseT26500
ChEMBLCHEMBL3759
IUPHAR265
DrugBankBE0000146

Ligand

NameCHEMBL3236571
Molecular formulaC13H23N5
IUPAC name4-butyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine
Molecular weight249.362
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP1.8
SynonymsSCHEMBL603668
BDBM50006761
Inchi KeyAAINEFSCHYZRDZ-LLVKDONJSA-N
Inchi IDInChI=1S/C13H23N5/c1-3-4-5-10-8-12(17-13(14)16-10)18-7-6-11(9-18)15-2/h8,11,15H,3-7,9H2,1-2H3,(H2,14,16,17)/t11-/m1/s1
PubChem CID24992077
ChEMBLCHEMBL3236571
IUPHARN/A
BindingDB50006761
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
EC50<10000.0 nMPMID24495018BindingDB,ChEMBL
Kd3.981 nMPMID24495018ChEMBL
Ki1.5 nMPMID24495018BindingDB,ChEMBL

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