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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

NameCHEMBL374869
Molecular formulaC27H32N2O5
IUPAC name2-[2-[4-[1-[2-(1,3-dioxolan-2-yl)ethyl]indol-3-yl]piperidin-1-yl]ethoxy]benzoic acid
Molecular weight464.562
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP1.4
Synonyms2-(2-{4-[1-(2-[1,3]dioxolan-2-yl-ethyl)-1H-indol-3-yl]-piperidin-1-yl}-ethoxy)-benzoic acid
BDBM50156870
SCHEMBL5349798
2-(2-{4-[1-(2-[1,3]dioxolan-2-yl-ethyl)-1H-indol-3-yl]piperidin-1-yl}ethoxy)benzoic acid
ZUAMSTWVTDGQIR-UHFFFAOYSA-N
Inchi KeyZUAMSTWVTDGQIR-UHFFFAOYSA-N
Inchi IDInChI=1S/C27H32N2O5/c30-27(31)22-6-2-4-8-25(22)32-16-15-28-12-9-20(10-13-28)23-19-29(14-11-26-33-17-18-34-26)24-7-3-1-5-21(23)24/h1-8,19-20,26H,9-18H2,(H,30,31)
PubChem CID10161929
ChEMBLCHEMBL374869
IUPHARN/A
BindingDB50156870
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
ED50<100.0 mg.kg-1PMID15566302ChEMBL

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