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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

NameCHEMBL328170
Molecular formulaC21H27N3O
IUPAC nameN-[2-(4-benzylpiperazin-1-yl)ethyl]-2-methylbenzamide
Molecular weight337.467
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP2.9
Synonyms2-Methyl-N-[2-(4-benzyl-1-piperazinyl)ethyl]benzamide
BDBM50406137
Inchi KeyAMBONBMEXKSALX-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H27N3O/c1-18-7-5-6-10-20(18)21(25)22-11-12-23-13-15-24(16-14-23)17-19-8-3-2-4-9-19/h2-10H,11-17H2,1H3,(H,22,25)
PubChem CID14762572
ChEMBLCHEMBL328170
IUPHARN/A
BindingDB50406137
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Activity7.12 uM/LMed Chem Res, (2004) 13:8:746ChEMBL
IC502.4 ug.mL-1PMID1977909ChEMBL
IC507120.0 nMPMID1977909BindingDB,ChEMBL

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