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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

NameCHEMBL557585
Molecular formulaC35H45F2N3
IUPAC name1-[3-[2-(3-fluorophenyl)phenyl]propyl]-4-[2-(4-fluorophenyl)-2-(1-propan-2-ylpiperidin-4-yl)ethyl]piperazine
Molecular weight545.763
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP7.5
Synonyms(+/-)-1-[3-(30-fluorobiphenyl-2-yl)propyl]-4-[2-(4-fluorophenyl)-2-(1-isopropylpiperidin-4-yl)ethyl]piperazine trihydrochloride
CHEMBL1196602
BDBM50203994
Inchi KeyBXMQVSMCTWXOEI-UHFFFAOYSA-N
Inchi IDInChI=1S/C35H45F2N3/c1-27(2)40-19-16-30(17-20-40)35(29-12-14-32(36)15-13-29)26-39-23-21-38(22-24-39)18-6-9-28-7-3-4-11-34(28)31-8-5-10-33(37)25-31/h3-5,7-8,10-15,25,27,30,35H,6,9,16-24,26H2,1-2H3
PubChem CID44423382
ChEMBLN/A
IUPHARN/A
BindingDB50203994
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 nMPMID17267226BindingDB

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