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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

NameCHEMBL323688
Molecular formulaC20H24ClN5O
IUPAC name2-[3-[4-(3-chlorophenyl)-2-methylpiperazin-1-yl]propyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
Molecular weight385.896
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP3.3
SynonymsBDBM50073439
L018515
2-{3-[4-(3-Chloro-phenyl)-2-methyl-piperazin-1-yl]-propyl}-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one
Inchi KeyORJUEHXQOBCAKN-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H24ClN5O/c1-16-15-24(18-7-4-6-17(21)14-18)13-12-23(16)9-5-11-26-20(27)25-10-3-2-8-19(25)22-26/h2-4,6-8,10,14,16H,5,9,11-13,15H2,1H3
PubChem CID10643843
ChEMBLCHEMBL323688
IUPHARN/A
BindingDB50073439
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Inhibition13.0 %PMID9986703ChEMBL

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