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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

NameCHEMBL117027
Molecular formulaC22H28ClN5O
IUPAC name2-[3-[4-(3-chlorophenyl)-2,2,5-trimethylpiperazin-1-yl]propyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
Molecular weight413.95
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP3.9
SynonymsN/A
Inchi KeyNPMIRPDEZBWFON-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H28ClN5O/c1-17-15-25(22(2,3)16-27(17)19-9-6-8-18(23)14-19)11-7-13-28-21(29)26-12-5-4-10-20(26)24-28/h4-6,8-10,12,14,17H,7,11,13,15-16H2,1-3H3
PubChem CID10525813
ChEMBLCHEMBL117027
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
Inhibition9.0 %PMID9986703ChEMBL

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