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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

NameCHEMBL134543
Molecular formulaC28H30N2O3S
IUPAC name11-[2-(4-benzylpiperazin-1-yl)ethylsulfanyl]-6,11-dihydrobenzo[c][1]benzoxepine-2-carboxylic acid
Molecular weight474.619
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP2.2
Synonyms11-[2-(4-Benzyl-piperazin-1-yl)-ethylsulfanyl]-6,11-dihydro-dibenzo[b,e]oxepine-2-carboxylic acid
BDBM50040112
L003055
SCHEMBL9316554
6,11-Dihydro-11-[[2-(4-benzylpiperazin-1-yl)ethyl]thio]dibenz[b,e]oxepin-2-carboxylic acid
Inchi KeyAAGQTOSVLSYVDV-UHFFFAOYSA-N
Inchi IDInChI=1S/C28H30N2O3S/c31-28(32)22-10-11-26-25(18-22)27(24-9-5-4-8-23(24)20-33-26)34-17-16-29-12-14-30(15-13-29)19-21-6-2-1-3-7-21/h1-11,18,27H,12-17,19-20H2,(H,31,32)
PubChem CID10344845
ChEMBLCHEMBL134543
IUPHARN/A
BindingDB50040112
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki14.0 nMPMID8093908BindingDB,ChEMBL

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