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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

NameCHEMBL60524
Molecular formulaC19H19ClN4O
IUPAC name3-(4-chlorophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]-3-pyridin-2-ylpropanamide
Molecular weight354.838
Hydrogen bond acceptor3
Hydrogen bond donor2
XlogP2.6
SynonymsSCHEMBL14040781
BDBM50128881
N-[2-(4-Imidazolyl)ethyl]-3-(2-pyridinyl)-3-(4-chlorophenyl)propionamide
3-(4-Chloro-phenyl)-N-[2-(1H-imidazol-4-yl)-ethyl]-3-pyridin-2-yl-propionamide
Inchi KeyDYSJRNDWTMFCAH-UHFFFAOYSA-N
Inchi IDInChI=1S/C19H19ClN4O/c20-15-6-4-14(5-7-15)17(18-3-1-2-9-22-18)11-19(25)23-10-8-16-12-21-13-24-16/h1-7,9,12-13,17H,8,10-11H2,(H,21,24)(H,23,25)
PubChem CID9924758
ChEMBLCHEMBL60524
IUPHARN/A
BindingDB50128881
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Inhibition>50.0 %PMID12781173ChEMBL

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