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GPCR

NameAlpha-2C adrenergic receptor
SpeciesHomo sapiens (Human)
GeneADRA2C
SynonymAdrenergic alpha2C- receptor class I
alpha-2C adrenoreceptor
alpha2-C4
Alpha-2CAR
alpha-2C adrenergic receptor
[ Show all ]
DiseasePoison intoxication
Hypotension
Male sexual disorders
Neurological disease
Obesity
[ Show all ]
Length462
Amino acid sequenceMASPALAAALAVAAAAGPNASGAGERGSGGVANASGASWGPPRGQYSAGAVAGLAAVVGFLIVFTVVGNVLVVIAVLTSRALRAPQNLFLVSLASADILVATLVMPFSLANELMAYWYFGQVWCGVYLALDVLFCTSSIVHLCAISLDRYWSVTQAVEYNLKRTPRRVKATIVAVWLISAVISFPPLVSLYRQPDGAAYPQCGLNDETWYILSSCIGSFFAPCLIMGLVYARIYRVAKLRTRTLSEKRAPVGPDGASPTTENGLGAAAGAGENGHCAPPPADVEPDESSAAAERRRRRGALRRGGRRRAGAEGGAGGADGQGAGPGAAESGALTASRSPGPGGRLSRASSRSVEFFLSRRRRARSSVCRRKVAQAREKRFTFVLAVVMGVFVLCWFPFFFSYSLYGICREACQVPGPLFKFFFWIGYCNSSLNPVIYTVFNQDFRRSFKHILFRRRRRGFRQ
UniProtP18825
Protein Data BankN/A
GPCR-HGmod modelP18825
3D structure modelThis predicted structure model is from GPCR-EXP P18825.
BioLiPN/A
Therapeutic Target DatabaseT01777
ChEMBLCHEMBL1916
IUPHAR27
DrugBankBE0004888, BE0000342, BE0004864

Ligand

NameCHEMBL2112969
Molecular formulaC25H31FN4O4
IUPAC name(3R,3aR)-3-[[4-[2-(4-fluorophenoxy)ethyl]piperazin-1-yl]methyl]-7,8-dimethoxy-3,3a,4,5-tetrahydro-[1,2]oxazolo[4,3-c]quinoline
Molecular weight470.545
Hydrogen bond acceptor9
Hydrogen bond donor1
XlogP3.2
SynonymsBDBM50024314
Inchi KeyAIWNTZODSQLIEU-RDPSFJRHSA-N
Inchi IDInChI=1S/C25H31FN4O4/c1-31-22-13-19-21(14-23(22)32-2)27-15-20-24(34-28-25(19)20)16-30-9-7-29(8-10-30)11-12-33-18-5-3-17(26)4-6-18/h3-6,13-14,20,24,27H,7-12,15-16H2,1-2H3/t20-,24-/m0/s1
PubChem CID135405894
ChEMBLCHEMBL2112969
IUPHARN/A
BindingDB50024314
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki1.6 nMPMID15771448BindingDB,ChEMBL

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