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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

NameCHEMBL2376803
Molecular formulaC16H22N6
IUPAC name7-cyclopentyl-4-[3-(methylamino)azetidin-1-yl]pyrido[3,2-d]pyrimidin-2-amine
Molecular weight298.394
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP2.1
SynonymsBDBM50433358
SCHEMBL14895435
Inchi KeyHTLDHQKBLGJBRF-UHFFFAOYSA-N
Inchi IDInChI=1S/C16H22N6/c1-18-12-8-22(9-12)15-14-13(20-16(17)21-15)6-11(7-19-14)10-4-2-3-5-10/h6-7,10,12,18H,2-5,8-9H2,1H3,(H2,17,20,21)
PubChem CID71525681
ChEMBLCHEMBL2376803
IUPHARN/A
BindingDB50433358
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC5097.72 nMPMID23558237ChEMBL
Kd10.23 nMPMID23558237ChEMBL
Ki6.457 nMPMID23558237ChEMBL
pKb8.2 -PMID23558237ChEMBL

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