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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

NameCHEMBL140919
Molecular formulaC19H19ClN2O
IUPAC name1-[4-[(4-chlorophenyl)-pyridin-2-ylmethylidene]piperidin-1-yl]ethanone
Molecular weight326.824
Hydrogen bond acceptor2
Hydrogen bond donor0
XlogP3.5
Synonyms2-[alpha-(1-Acetyl-4-piperidinylidene)-4-chlorobenzyl]pyridine
1-{4-[(4-Chloro-phenyl)-pyridin-2-yl-methylene]-piperidin-1-yl}-ethanone
BDBM50007469
Inchi KeyBUXBWYJPEXONLX-UHFFFAOYSA-N
Inchi IDInChI=1S/C19H19ClN2O/c1-14(23)22-12-9-16(10-13-22)19(18-4-2-3-11-21-18)15-5-7-17(20)8-6-15/h2-8,11H,9-10,12-13H2,1H3
PubChem CID14885642
ChEMBLCHEMBL140919
IUPHARN/A
BindingDB50007469
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki<6300.0 nMPMID1671420BindingDB,ChEMBL

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