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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

NameCHEMBL418653
Molecular formulaC20H23N5O
IUPAC nameN-[4-(1H-imidazol-5-yl)butyl]-3,3-dipyridin-2-ylpropanamide
Molecular weight349.438
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP1.7
SynonymsBDBM50128886
N-[4-(1H-Imidazol-4-yl)-butyl]-3,3-di-pyridin-2-yl-propionamide
N-[4-(4-Imidazolyl)butyl]-3,3-bis(2-pyridinyl)propionamide
Inchi KeyJBXSKUKOMYVPOG-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H23N5O/c26-20(24-12-4-1-7-16-14-21-15-25-16)13-17(18-8-2-5-10-22-18)19-9-3-6-11-23-19/h2-3,5-6,8-11,14-15,17H,1,4,7,12-13H2,(H,21,25)(H,24,26)
PubChem CID23562989
ChEMBLCHEMBL418653
IUPHARN/A
BindingDB50128886
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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