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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

NameCHEMBL2262485
Molecular formulaC15H20N2O4
IUPAC name2-[3-[(1,3-dihydroxy-2-methylpropan-2-yl)amino]propyl]isoindole-1,3-dione
Molecular weight292.335
Hydrogen bond acceptor5
Hydrogen bond donor3
XlogP0.3
SynonymsN/A
Inchi KeyAMZNSMGWEXFPJE-UHFFFAOYSA-N
Inchi IDInChI=1S/C15H20N2O4/c1-15(9-18,10-19)16-7-4-8-17-13(20)11-5-2-3-6-12(11)14(17)21/h2-3,5-6,16,18-19H,4,7-10H2,1H3
PubChem CID76323071
ChEMBLCHEMBL2262485
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
Emax54.0 %Med Chem Res, (2009) 18:3:187ChEMBL
IC5080160.0 nMMed Chem Res, (2009) 18:3:187ChEMBL
Inhibition5.45 %Med Chem Res, (2009) 18:3:187ChEMBL
Inhibition28.4 %Med Chem Res, (2009) 18:3:187ChEMBL
Inhibition54.0 %Med Chem Res, (2009) 18:3:187ChEMBL
Inhibition69.2 %Med Chem Res, (2009) 18:3:187ChEMBL
Inhibition100.0 %Med Chem Res, (2009) 18:3:187ChEMBL

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