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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

NameCHEMBL117288
Molecular formulaC17H20ClN5O
IUPAC name2-[3-[2-(3-chloroanilino)ethylamino]propyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
Molecular weight345.831
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP2.5
Synonyms2-[3-[2-(3-Chloroanilino)ethylamino]propyl]-1,2,4-triazolo[4,3-a]pyridine-3(2H)-one
Inchi KeySGXXTUPUUQQXFD-UHFFFAOYSA-N
Inchi IDInChI=1S/C17H20ClN5O/c18-14-5-3-6-15(13-14)20-10-9-19-8-4-12-23-17(24)22-11-2-1-7-16(22)21-23/h1-3,5-7,11,13,19-20H,4,8-10,12H2
PubChem CID10807497
ChEMBLCHEMBL117288
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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