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GPCR

NameAlpha-2C adrenergic receptor
SpeciesRattus norvegicus (Rat)
GeneAdra2c
Synonymalpha2-C4
adrenergic receptor
Alpha-2C adrenoceptor
Adrenergic alpha2C- receptor class I
alpha2C-adrenoceptor
[ Show all ]
DiseaseN/A for non-human GPCRs
Length458
Amino acid sequenceMASPALAAALAAAAAEGPNGSDAGEWGSGGGANASGTDWGPPPGQYSAGAVAGLAAVVGFLIVFTVVGNVLVVIAVLTSRALRAPQNLFLVSLASADILVATLVMPFSLANELMAYWYFGQVWCGVYLALDVLFCTSSIVHLCAISLDRYWSVTQAVEYNLKRTPRRVKATIVAVWLISAVISFPPLVSFYRRPDGAAYPQCGLNDETWYILSSCIGSFFAPCLIMGLVYARIYRVAKLRTRTLSEKRGPAGPDGASPTTENGLGKAAGENGHCAPPRTEVEPDESSAAERRRRRGALRRGGRRREGAEGDTGSADGPGPGLAAEQGARTASRSPGPGGRLSRASSRSVEFFLSRRRRARSSVCRRKVAQAREKRFTFVLAVVMGVFVLCWFPFFFSYSLYGICREACQLPEPLFKFFFWIGYCNSSLNPVIYTVFNQDFRRSFKHILFRRRRRGFRQ
UniProtP22086
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL314
IUPHARN/A
DrugBankN/A

Ligand

NamePiperoxan
Molecular formulaC14H19NO2
IUPAC name1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidine
Molecular weight233.311
Hydrogen bond acceptor3
Hydrogen bond donor0
XlogP2.6
SynonymsBenodaine
Piperoxane
59-39-2
Fourneau 933
Piperoxan [INN:BAN]
[ Show all ]
Inchi KeyLYKMMUBOEFYJQG-UHFFFAOYSA-N
Inchi IDInChI=1S/C14H19NO2/c1-4-8-15(9-5-1)10-12-11-16-13-6-2-3-7-14(13)17-12/h2-3,6-7,12H,1,4-5,8-11H2
PubChem CID6040
ChEMBLCHEMBL31836
IUPHARN/A
BindingDB50017720
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki1.6 nMPMID2885406BindingDB
Ki4.9 nMPMID2885406BindingDB
Ki25.0 nMPMID2876905BindingDB
Ki29.6 nMPMID2885406BindingDB
Ki33.0 nMPMID2885406BindingDB
Ki42.0 nMPMID2876905BindingDB
Ki79.0 nMPMID2876905BindingDB
Ki500.0 nMPMID2876905BindingDB

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