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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

NameCHEMBL377765
Molecular formulaC18H18ClN3
IUPAC name3-chloro-6-piperidin-1-yl-11H-benzo[b][1,4]benzodiazepine
Molecular weight311.813
Hydrogen bond acceptor2
Hydrogen bond donor1
XlogP4.1
SynonymsAIPDTAGTECXKTJ-UHFFFAOYSA-N
SCHEMBL3411880
8-Chloro-11-(piperidin-1-yl)-5H-dibenzo[b,e][1,4]diazepine
Inchi KeyAIPDTAGTECXKTJ-UHFFFAOYSA-N
Inchi IDInChI=1S/C18H18ClN3/c19-13-8-9-16-17(12-13)21-18(22-10-4-1-5-11-22)14-6-2-3-7-15(14)20-16/h2-3,6-9,12,20H,1,4-5,10-11H2
PubChem CID135502653
ChEMBLCHEMBL377765
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
Ki>10000.0 nMPMID16854056ChEMBL

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