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Target
Serine/threonine-protein kinase Nek2
Ligand
BDBM50330585
Substrate
n/a
Meas. Tech.
ChEMBL_685025 (CHEMBL1286641)
IC50
5900±n/a nM
Citation
 Whelligan, DK; Solanki, S; Taylor, D; Thomson, DW; Cheung, KM; Boxall, K; Mas-Droux, C; Barillari, C; Burns, S; Grummitt, CG; Collins, I; van Montfort, RL; Aherne, GW; Bayliss, R; Hoelder, S Aminopyrazine inhibitors binding to an unusual inactive conformation of the mitotic kinase Nek2: SAR and structural characterization. J Med Chem 53:7682-98 (2010) [PubMed]  Article 
Target
Name:
Serine/threonine-protein kinase Nek2
Synonyms:
NEK kinase | NEK2 | NEK2A | NEK2_HUMAN | NLK1
Type:
Enzyme
Mol. Mass.:
51776.96
Organism:
Homo sapiens (Human)
Description:
P51955
Residue:
445
Sequence:
MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR
  
Inhibitor
Name:
BDBM50330585
Synonyms:
(+/-)-(2S,4R)-1-(3-amino-6-(3,4,5-trimethoxyphenyl)pyrazin-2-yl)-2-isopropylpiperidine-4-carboxylic acid | CHEMBL1278190
Type:
Small organic molecule
Emp. Form.:
C22H30N4O5
Mol. Mass.:
430.4974
SMILES:
COc1cc(cc(OC)c1OC)-c1cnc(N)c(n1)N1CC[C@H](C[C@H]1C(C)C)C(O)=O |r|
Structure:
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