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GPCR

NameHistamine H1 receptor
SpeciesRattus norvegicus (Rat)
GeneHrh1
SynonymH1 receptor
H1R
HH1R
Hisr
DiseaseN/A for non-human GPCRs
Length486
Amino acid sequenceMSFANTSSTFEDKMCEGNRTAMASPQLLPLVVVLSSISLVTVGLNLLVLYAVHSERKLHTVGNLYIVSLSVADLIVGAVVMPMNILYLIMTKWSLGRPLCLFWLSMDYVASTASIFSVFILCIDRYRSVQQPLRYLRYRTKTRASATILGAWFFSFLWVIPILGWHHFMPPAPELREDKCETDFYNVTWFKIMTAIINFYLPTLLMLWFYVKIYKAVRRHCQHRQLTNGSLPSFSELKLRSDDTKEGAKKPGRESPWGVLKRPSRDPSVGLDQKSTSEDPKMTSPTVFSQEGERETRPCFRLDIMQKQSVAEGDVRGSKANDQALSQPKMDEQSLNTCRRISETSEDQTLVDQQSFSRTTDSDTSIEPGPGRVKSRSGSNSGLDYIKITWKRLRSHSRQYVSGLHLNRERKAAKQLGFIMAAFILCWIPYFIFFMVIAFCKSCCSEPMHMFTIWLGYINSTLNPLIYPLCNENFKKTFKKILHIRS
UniProtP31390
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL4701
IUPHARN/A
DrugBankN/A

Ligand

NameCHEMBL11055
Molecular formulaC22H23ClN2O2
IUPAC name1-[4-(13-chloro-7-methoxy-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaen-2-ylidene)piperidin-1-yl]ethanone
Molecular weight382.888
Hydrogen bond acceptor3
Hydrogen bond donor0
XlogP4.4
SynonymsBDBM50281831
1-[4-(8-Chloro-4-methoxy-5,6-dihydro-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidene)-piperidin-1-yl]-ethanone
Inchi KeyINCOAMJITVISKS-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H23ClN2O2/c1-14(26)25-11-8-15(9-12-25)21-18-6-4-17(23)13-16(18)3-5-19-20(27-2)7-10-24-22(19)21/h4,6-7,10,13H,3,5,8-9,11-12H2,1-2H3
PubChem CID44267120
ChEMBLCHEMBL11055
IUPHARN/A
BindingDB50281831
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki<10000.0 nM, Bioorg. Med. Chem. Lett., (1993) 3:6:1073BindingDB,ChEMBL

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