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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

NameCHEMBL117476
Molecular formulaC18H22ClN5O
IUPAC name2-[3-[2-(3-chloro-N-methylanilino)ethylamino]propyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
Molecular weight359.858
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP2.6
Synonyms2-[3-[2-(3-Chloro-N-methylanilino)ethylamino]propyl]-1,2,4-triazolo[4,3-a]pyridine-3(2H)-one
Inchi KeyJHRGBWKUHXNWKQ-UHFFFAOYSA-N
Inchi IDInChI=1S/C18H22ClN5O/c1-22(16-7-4-6-15(19)14-16)13-10-20-9-5-12-24-18(25)23-11-3-2-8-17(23)21-24/h2-4,6-8,11,14,20H,5,9-10,12-13H2,1H3
PubChem CID10760958
ChEMBLCHEMBL117476
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Inhibition0.0 %PMID9986703ChEMBL

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