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GPCR

NameAlpha-2C adrenergic receptor
SpeciesHomo sapiens (Human)
GeneADRA2C
Synonymalpha2-C4
Adra-2c
ADRA2L2
ADRA2RL2
Adrenergic alpha2C- receptor class I
[ Show all ]
DiseaseDiabetic nephropathy; Fibromyalgia
Hypertension
Heart failure
Glaucoma
Alzheimer disease
[ 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
DrugBankBE0004864, BE0000342, BE0004888

Ligand

NameA-846714
Molecular formulaC16H18N6
IUPAC name4-[2-amino-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]benzonitrile
Molecular weight294.362
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP1.5
SynonymsBDBM26229
D08DOG
4-[2-amino-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]benzonitrile
JMC516547 Compound 2
2-Aminopyrimidine analog., 4
[ Show all ]
Inchi KeyQFKQUMBUFVKQBH-UHFFFAOYSA-N
Inchi IDInChI=1S/C16H18N6/c1-21-6-8-22(9-7-21)15-10-14(19-16(18)20-15)13-4-2-12(11-17)3-5-13/h2-5,10H,6-9H2,1H3,(H2,18,19,20)
PubChem CID25130235
ChEMBLCHEMBL494678
IUPHARN/A
BindingDB26229
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki290.0 nMPMID18811133ChEMBL

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