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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

NameCHEMBL21278
Molecular formulaC22H34N4O
IUPAC nameN'-[2-[(4-methoxyphenyl)methyl-pyridin-2-ylamino]ethyl]-N'-methylhexane-1,6-diamine
Molecular weight370.541
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP3.8
SynonymsN-(4-Methoxybenzyl)-N-[2-[methyl(6-aminohexyl)amino]ethyl]pyridine-2-amine
N-[2-[N-(4-methoxybenzyl)-N-(2-pyridyl)amino]ethyl]-N-methyl-1,6-hexanediamine
AYEQNAFPDMJGOZ-UHFFFAOYSA-N
SCHEMBL9574840
BDBM50404154
Inchi KeyAYEQNAFPDMJGOZ-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H34N4O/c1-25(16-8-4-3-6-14-23)17-18-26(22-9-5-7-15-24-22)19-20-10-12-21(27-2)13-11-20/h5,7,9-13,15H,3-4,6,8,14,16-19,23H2,1-2H3
PubChem CID19762600
ChEMBLCHEMBL21278
IUPHARN/A
BindingDB50404154
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Kd12.88 nMPMID12657255BindingDB,ChEMBL

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