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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

NameCHEMBL280063
Molecular formulaC21H23Cl2N3OS
IUPAC name6-[2-[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]ethyl]-3-methyl-1,3-benzothiazol-2-one
Molecular weight436.395
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP4.7
Synonyms6-{2-[4-(2,4-Dichloro-benzyl)-piperazin-1-yl]-ethyl}-3-methyl-3H-benzothiazol-2-one
3-Methyl-6-[2-[4-(2,4-dichlorobenzyl)piperazino]ethyl]benzothiazoline-2-one
BDBM50111629
SCHEMBL7756716
Inchi KeyIVPBWXCQFBOUNC-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H23Cl2N3OS/c1-24-19-5-2-15(12-20(19)28-21(24)27)6-7-25-8-10-26(11-9-25)14-16-3-4-17(22)13-18(16)23/h2-5,12-13H,6-11,14H2,1H3
PubChem CID17867053
ChEMBLCHEMBL280063
IUPHARN/A
BindingDB50111629
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki10.0 nMPMID11934576BindingDB,ChEMBL

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