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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

NameCHEMBL39603
Molecular formulaC21H25NO2
IUPAC name1-[4-[[4-(piperidin-1-ylmethyl)phenyl]methoxy]phenyl]ethanone
Molecular weight323.436
Hydrogen bond acceptor3
Hydrogen bond donor0
XlogP3.8
SynonymsSCHEMBL12128667
alpha-(4-Acetylphenoxy)-alpha'-piperidino p-xylol
CHEMBL1178750
1-[4-(4-Piperidin-1-ylmethyl-benzyloxy)-phenyl]-ethanone; compound with oxalic acid
ARBBIPRORVNXCC-UHFFFAOYSA-N
[ Show all ]
Inchi KeyARBBIPRORVNXCC-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H25NO2/c1-17(23)20-9-11-21(12-10-20)24-16-19-7-5-18(6-8-19)15-22-13-3-2-4-14-22/h5-12H,2-4,13-16H2,1H3
PubChem CID10936212
ChEMBLN/A
IUPHARN/A
BindingDB50126884
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Kd4570.88 nMPMID12672253BindingDB

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