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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

NameVUF10460
Molecular formulaC15H19N5
IUPAC name4-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-2-amine
Molecular weight269.352
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP1.8
SynonymsVUF 10460
1028327-66-3
6-aryl-2-aminopyrimidine, 3
CHEMBL492884
SCHEMBL2167865
[ Show all ]
Inchi KeyNIJGWJIOMPHDBP-UHFFFAOYSA-N
Inchi IDInChI=1S/C15H19N5/c1-19-7-9-20(10-8-19)14-11-13(17-15(16)18-14)12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3,(H2,16,17,18)
PubChem CID25129523
ChEMBLCHEMBL492884
IUPHARN/A
BindingDB26390
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki5.0 nMPMID18817367BindingDB
Ki5.012 nMMedChemComm, (2013) 4:1:193, PMID18817367ChEMBL
Ki6.31 nMPMID21782429BindingDB,ChEMBL
Ki7.943 nMPMID23668417ChEMBL
pKb8.39 -PMID18817367, PMID18811133ChEMBL

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