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GPCR

NameAlpha-2C adrenergic receptor
SpeciesRattus norvegicus (Rat)
GeneAdra2c
Synonymalpha2C-adrenoceptor
alpha2-C4
Alpha-2CAR
alpha-2C adrenoreceptor
Alpha-2C 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

NameAC1NKXXY
Molecular formulaC17H19N3O
IUPAC name3-[N-(4,5-dihydro-1H-imidazol-3-ium-2-ylmethyl)-4-methylanilino]phenolate
Molecular weight281.359
Hydrogen bond acceptor2
Hydrogen bond donor2
XlogP3.3
SynonymsMolPort-000-771-097
3-[N-(4,5-dihydro-1H-imidazol-3-ium-2-ylmethyl)-4-methylanilino]phenolate
STL054299
AKOS005707227
MCULE-3004652227
[ Show all ]
Inchi KeyMRBDMNSDAVCSSF-UHFFFAOYSA-N
Inchi IDInChI=1S/C17H19N3O/c1-13-5-7-14(8-6-13)20(12-17-18-9-10-19-17)15-3-2-4-16(21)11-15/h2-8,11,21H,9-10,12H2,1H3,(H,18,19)
PubChem CID4920903
ChEMBLCHEMBL597
IUPHAR502
BindingDB31046
DrugBankDB00692

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki1.26 nMPMID2885406BindingDB
Ki5.0 nMPMID2876905BindingDB
Ki5.8 nMPMID2885406BindingDB
Ki5.9 nMPMID2885406BindingDB
Ki7.1 nMPMID2876905BindingDB
Ki10.0 nMPMID2876905BindingDB
Ki16.9 nMPMID2885406BindingDB
Ki22.0 nMPMID2876905BindingDB

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