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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

NameCHEMBL118691
Molecular formulaC21H26ClN5O
IUPAC name2-[3-[4-(3-chlorophenyl)-2-ethylpiperazin-1-yl]propyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
Molecular weight399.923
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP3.8
SynonymsBDBM50073441
2-{3-[4-(3-Chloro-phenyl)-2-ethyl-piperazin-1-yl]-propyl}-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one
Inchi KeyNXKQJTIEWHWYMT-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H26ClN5O/c1-2-18-16-25(19-8-5-7-17(22)15-19)14-13-24(18)10-6-12-27-21(28)26-11-4-3-9-20(26)23-27/h3-5,7-9,11,15,18H,2,6,10,12-14,16H2,1H3
PubChem CID10524995
ChEMBLCHEMBL118691
IUPHARN/A
BindingDB50073441
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Inhibition14.0 %PMID9986703ChEMBL

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