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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

NameBDBM50091370
Molecular formulaC18H25N3O2
IUPAC name5-[3-[4-(1-nitrosohexyl)phenoxy]propyl]-1H-imidazole
Molecular weight315.417
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP4.1
Synonyms1-{4-[3-(1H-Imidazol-4-yl)-propoxy]-phenyl}-hexan-1-one oxime; compound with but-2-enedioic acid (0.5M H2O)
Inchi KeyBPMCQKYRBFYLDU-UHFFFAOYSA-N
Inchi IDInChI=1S/C18H25N3O2/c1-2-3-4-7-18(21-22)15-8-10-17(11-9-15)23-12-5-6-16-13-19-14-20-16/h8-11,13-14,18H,2-7,12H2,1H3,(H,19,20)
PubChem CID91931409
ChEMBLN/A
IUPHARN/A
BindingDB50091370
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Kd12589.2 nMPMID10966752BindingDB

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