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GPCR

NameHistamine H1 receptor
SpeciesCavia porcellus (Guinea pig)
GeneHRH1
SynonymH1R
HH1R
DiseaseN/A for non-human GPCRs
Length488
Amino acid sequenceMSFLPGMTPVTLSNFSWALEDRMLEGNSTTTPTRQLMPLVVVLSSVSLVTVALNLLVLYAVRSERKLHTVGNLYIVSLSVADLIVGAVVMPMSILYLHRSAWILGRPLCLFWLSMDYVASTASIFSVFILCIDRYRSVQQPLRYLRYRTKTRASATILGAWLLSFLWVIPILGWHHFMAPTSEPREKKCETDFYDVTWFKVMTAIINFYLPTLLMLWFYIRIYKAVRRHCQHRQLINSSLPSFSEMKLKLENAKVDTRRMGKESPWEDPKRCSKDASGVHTPMPSSQHLVDMPCAAVLSEDEGGEVGTRQMPMLAVGDGRCCEALNHMHSQLELSGQSRATHSISARPEEWTVVDGQSFPITDSDTSTEAAPMGGQPRSGSNSGLDYIKFTWRRLRSHSRQYTSGLHLNRERKAAKQLGCIMAAFILCWIPYFVFFMVIAFCKSCSNEPVHMFTIWLGYLNSTLNPLIYPLCNENFRKTFKRILRIPP
UniProtP31389
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL3943
IUPHARN/A
DrugBankN/A

Ligand

NameCHEMBL221716
Molecular formulaC27H34N2O5
IUPAC name2-[2-[4-[1-(2-ethoxyethyl)-5-methoxyindol-3-yl]piperidin-1-yl]ethoxy]benzoic acid
Molecular weight466.578
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP1.6
SynonymsSCHEMBL6780286
2-(2-{4-[1-(2-ethoxyethyl)-5-methoxy-1H-indol-3-yl]piperidin-1-yl}ethoxy)benzoic acid
BDBM50156883
Inchi KeyZEARTZKNFQZDKX-UHFFFAOYSA-N
Inchi IDInChI=1S/C27H34N2O5/c1-3-33-16-15-29-19-24(23-18-21(32-2)8-9-25(23)29)20-10-12-28(13-11-20)14-17-34-26-7-5-4-6-22(26)27(30)31/h4-9,18-20H,3,10-17H2,1-2H3,(H,30,31)
PubChem CID11351801
ChEMBLCHEMBL221716
IUPHARN/A
BindingDB50156883
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC50155.0 nMPMID15566302BindingDB,ChEMBL

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