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GPCR

NameHistamine H1 receptor
SpeciesMus musculus (Mouse)
GeneHrh1
SynonymH1 receptor
H1R
HH1R
Hisr
DiseaseN/A for non-human GPCRs
Length488
Amino acid sequenceMSLPNTSSASEDKMCEGNRTAMASPQLLPLVVVLSSISLVTVGLNLLVLYAVRSERKLHTVGNLYIVSLSVADLIVGAVVMPMNILYLIMTKWSLGRPLCLFWLSMDYVASTASIFSVFILCIDRYRSVQQPLRYLRYRTKTRASATILGAWFLSFLWVIPILGWHHFTPLAPELREDKCETDFYNVTWFKIMTAIINFYLPTLLMLWFYVKIYKAVRRHCQHRQLTNGSLPTFLEIKLRSEDAKEGAKKPGKESPWGVQKRPSRDPTGGLDQKSTSEDPKVTSPTVFSQEGERETVTRPCFRLDVMQTQPVPEGDARGSKANDQTLSQPKMDEQSLSTCRRISETSEDQTLVDRQSFSRTTDSDTSIEPGLGKVKARSRSNSGLDYIKVTWKRLRSHSRQYVSGLHLNRERKAAKQLGCIMAAFILCWIPYFIFFMVIAFCNSCCSEPVHMFTIWLGYINSTLNPLIYPLCNENFKKTFKKILHIRS
UniProtP70174
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL4322
IUPHARN/A
DrugBankN/A

Ligand

NameCHEMBL221664
Molecular formulaC26H31FN2O3
IUPAC name2-[2-[4-(1-butyl-6-fluoroindol-3-yl)piperidin-1-yl]ethoxy]benzoic acid
Molecular weight438.543
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP2.8
SynonymsBDBM50156879
2-{2-[4-(1-butyl-6-fluoro-1H-indol-3-yl)piperidin-1-yl]-ethoxy}benzoic acid
Inchi KeyZMOAWDWBPDLQAJ-UHFFFAOYSA-N
Inchi IDInChI=1S/C26H31FN2O3/c1-2-3-12-29-18-23(21-9-8-20(27)17-24(21)29)19-10-13-28(14-11-19)15-16-32-25-7-5-4-6-22(25)26(30)31/h4-9,17-19H,2-3,10-16H2,1H3,(H,30,31)
PubChem CID11189839
ChEMBLCHEMBL221664
IUPHARN/A
BindingDB50156879
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
ED5010.0 mg.kg-1PMID15566302ChEMBL

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