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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

NameCHEMBL61348
Molecular formulaC21H24ClN5
IUPAC nameN'-[3-(4-chlorophenyl)-3-pyridin-2-ylpropyl]-4-(1H-imidazol-5-yl)butanimidamide
Molecular weight381.908
Hydrogen bond acceptor3
Hydrogen bond donor2
XlogP3.0
SynonymsBDBM50128877
N-[3-(4-Chloro-phenyl)-3-pyridin-2-yl-propyl]-4-(1H-imidazol-4-yl)-butyramidine
SCHEMBL14040971
Inchi KeyBODDNEXOKSACRX-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H24ClN5/c22-17-9-7-16(8-10-17)19(20-5-1-2-12-25-20)11-13-26-21(23)6-3-4-18-14-24-15-27-18/h1-2,5,7-10,12,14-15,19H,3-4,6,11,13H2,(H2,23,26)(H,24,27)
PubChem CID10156707
ChEMBLCHEMBL61348
IUPHARN/A
BindingDB50128877
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki201.0 nMPMID12781173BindingDB,ChEMBL

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