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GPCR

NameHistamine H1 receptor
SpeciesBos taurus (Bovine)
GeneHRH1
SynonymH1R
HH1R
DiseaseN/A for non-human GPCRs
Length491
Amino acid sequenceMTCPNSSCVFEDKMCQGNKTAPANDAQLTPLVVVLSTISLVTVGLNLLVLYAVRSERKLHTVGNLYIVSLSVADLIVGVVVMPMNILYLLMSRWSLGRPLCLFWLSMDYVASTASIFSVFILCIDRYRSVQQPLKYLRYRTKTRASITILAAWFLSFLWIIPILGWRHFQPKTPEPREDKCETDFYNVTWFKVMTAIINFYLPTLLMLWFYAKIYKAVRQHCQHRELINGSFPSFSDMKMKPENLQVGAKKPGKESPWEVLKRKPKDTGGGPVLKPPSQEPKEVTSPGVFSQEKEEKDGELGKFYCFPLDTVQAQPEAEGSGRGYATINQSQNQLEMGEQGLSMPGAKEALEDQILGDSQSFSRTDSDTPAEPAPAKGKSRSESSTGLEYIKFTWKRLRSHSRQYVSGLHMNRERKAAKQLGFIMAAFIICWIPYFIFFMVIAFCESCCNQHVHMFTIWLGYINSTLNPLIYPLCNENFKKTFKKILHIRS
UniProtP30546
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL3573
IUPHARN/A
DrugBankN/A

Ligand

NameCHEMBL325489
Molecular formulaC20H24ClN5O
IUPAC name2-[3-[4-(3-chlorophenyl)piperazin-1-yl]-2-methylpropyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
Molecular weight385.896
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP3.3
SynonymsBDBM50073442
2-[2-[4-(3-Chlorophenyl)piperazinomethyl]propyl]-1,2,4-triazolo[4,3-a]pyridine-3(2H)-one
2-{3-[4-(3-Chloro-phenyl)-piperazin-1-yl]-2-methyl-propyl}-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one
Inchi KeyFGQBZZXQUXZMDJ-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H24ClN5O/c1-16(15-26-20(27)25-8-3-2-7-19(25)22-26)14-23-9-11-24(12-10-23)18-6-4-5-17(21)13-18/h2-8,13,16H,9-12,14-15H2,1H3
PubChem CID10667838
ChEMBLCHEMBL325489
IUPHARN/A
BindingDB50073442
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Inhibition7.0 %PMID9986703ChEMBL

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