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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

NameCHEMBL226227
Molecular formulaC35H47FN4
IUPAC name1-[1-(4-fluorophenyl)-2-[4-[3-(2-methyl-6-phenylphenyl)propyl]piperazin-1-yl]ethyl]-4-propan-2-ylpiperazine
Molecular weight542.787
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP6.7
Synonyms(+/-)-1-[2-(4-fluorophenyl)-2-(4-isopropylpiperazin-1-yl)ethyl]-4-[3-(3-methylbiphenyl-2-yl)propyl]piperazine
BDBM50202933
Inchi KeyJBXYADWMJLOTTL-UHFFFAOYSA-N
Inchi IDInChI=1S/C35H47FN4/c1-28(2)39-23-25-40(26-24-39)35(31-14-16-32(36)17-15-31)27-38-21-19-37(20-22-38)18-8-13-33-29(3)9-7-12-34(33)30-10-5-4-6-11-30/h4-7,9-12,14-17,28,35H,8,13,18-27H2,1-3H3
PubChem CID44423459
ChEMBLCHEMBL226227
IUPHARN/A
BindingDB50202933
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Experimental Data

ParameterValueReferenceDatabase source
IC50<1000.0 nMPMID17234422BindingDB,ChEMBL

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