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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

NameCHEMBL223881
Molecular formulaC25H30N2O3
IUPAC name4-[[4-[1-(2-ethoxyethyl)indol-3-yl]piperidin-1-yl]methyl]benzoic acid
Molecular weight406.526
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP1.5
SynonymsN/A
Inchi KeyFTXDYUFGZQUOPZ-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H30N2O3/c1-2-30-16-15-27-18-23(22-5-3-4-6-24(22)27)20-11-13-26(14-12-20)17-19-7-9-21(10-8-19)25(28)29/h3-10,18,20H,2,11-17H2,1H3,(H,28,29)
PubChem CID11361769
ChEMBLCHEMBL223881
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
ED504.5 mg.kg-1PMID15566302ChEMBL

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