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GPCR

NameHistamine H1 receptor
SpeciesMus musculus (Mouse)
GeneHrh1
SynonymH1 receptor
H1R
HH1R
Hisr
DiseaseN/A for non-human GPCRs
Length488
Amino acid sequenceMSLPNTSSASEDKMCEGNRTAMASPQLLPLVVVLSSISLVTVGLNLLVLYAVRSERKLHTVGNLYIVSLSVADLIVGAVVMPMNILYLIMTKWSLGRPLCLFWLSMDYVASTASIFSVFILCIDRYRSVQQPLRYLRYRTKTRASATILGAWFLSFLWVIPILGWHHFTPLAPELREDKCETDFYNVTWFKIMTAIINFYLPTLLMLWFYVKIYKAVRRHCQHRQLTNGSLPTFLEIKLRSEDAKEGAKKPGKESPWGVQKRPSRDPTGGLDQKSTSEDPKVTSPTVFSQEGERETVTRPCFRLDVMQTQPVPEGDARGSKANDQTLSQPKMDEQSLSTCRRISETSEDQTLVDRQSFSRTTDSDTSIEPGLGKVKARSRSNSGLDYIKVTWKRLRSHSRQYVSGLHLNRERKAAKQLGCIMAAFILCWIPYFIFFMVIAFCNSCCSEPVHMFTIWLGYINSTLNPLIYPLCNENFKKTFKKILHIRS
UniProtP70174
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL4322
IUPHARN/A
DrugBankN/A

Ligand

Nameketotifen
Molecular formulaC19H19NOS
IUPAC name2-(1-methylpiperidin-4-ylidene)-6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-8-one
Molecular weight309.427
Hydrogen bond acceptor3
Hydrogen bond donor0
XlogP3.2
SynonymsZINC4351
GTPL7206
KBio2_003474
10-(1-methyl-4-piperidylidene)-5H-benzo[1,2]cyclohepta[3,4-b]thiophen-4-one;maleate
Ketotifene
[ Show all ]
Inchi KeyZCVMWBYGMWKGHF-UHFFFAOYSA-N
Inchi IDInChI=1S/C19H19NOS/c1-20-9-6-13(7-10-20)18-15-5-3-2-4-14(15)12-17(21)19-16(18)8-11-22-19/h2-5,8,11H,6-7,9-10,12H2,1H3
PubChem CID3827
ChEMBLCHEMBL534
IUPHAR7206
BindingDB94597, 50002087
DrugBankDB00920

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
ID500.65 mg.kg-1PMID7853343ChEMBL

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