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Target
Aurora kinase B
Ligand
BDBM50442151
Substrate
n/a
Meas. Tech.
ChEMBL_993110 (CHEMBL2446685)
Ki
2512±n/a nM
Citation
 Alder, CM; Ambler, M; Campbell, AJ; Champigny, AC; Deakin, AM; Harling, JD; Harris, CA; Longstaff, T; Lynn, S; Maxwell, AC; Mooney, CJ; Scullion, C; Singh, OM; Smith, IE; Somers, DO; Tame, CJ; Wayne, G; Wilson, C; Woolven, JM Identification of a Novel and Selective Series of Itk Inhibitors via a Template-Hopping Strategy. ACS Med Chem Lett 4:948-52 (2013) [PubMed]  Article 
Target
Name:
Aurora kinase B
Synonyms:
AIK2 | AIM-1 | AIM1 | AIRK2 | ARK2 | AURKB | AURKB_HUMAN | Aurora B kinase (aurB) | Aurora B-INCENP | Aurora kinase 2 | Aurora kinase B (AURKB) | Aurora-related kinase 2 | STK-1 | STK1 | STK12 | STK5 | Serine/threonine-protein kinase aurora B
Type:
Protein
Mol. Mass.:
39327.72
Organism:
Homo sapiens (Human)
Description:
Q96GD4
Residue:
344
Sequence:
MAQKENSYPWPYGRQTAPSGLSTLPQRVLRKEPVTPSALVLMSRSNVQPTAAPGQKVMENSSGTPDILTRHFTIDDFEIGRPLGKGKFGNVYLAREKKSHFIVALKVLFKSQIEKEGVEHQLRREIEIQAHLHHPNILRLYNYFYDRRRIYLILEYAPRGELYKELQKSCTFDEQRTATIMEELADALMYCHGKKVIHRDIKPENLLLGLKGELKIADFGWSVHAPSLRRKTMCGTLDYLPPEMIEGRMHNEKVDLWCIGVLCYELLVGNPPFESASHNETYRRIVKVDLKFPASVPMGAQDLISKLLRHNPSERLPLAQVSAHPWVRANSRRVLPPSALQSVA
  
Inhibitor
Name:
BDBM50442151
Synonyms:
CHEMBL2441286
Type:
Small organic molecule
Emp. Form.:
C25H24F3N5O2S
Mol. Mass.:
515.551
SMILES:
COc1ccc2nc(Nc3cc(nc(N[C@H]4CC[C@H](O)CC4)n3)C(F)(F)c3ccc(F)cc3)sc2c1 |r,wU:18.18,wD:15.14,(40.74,-21.58,;39.99,-20.23,;38.45,-20.2,;37.7,-18.85,;36.17,-18.83,;35.39,-20.14,;33.88,-20.44,;33.69,-21.95,;32.34,-22.7,;32.31,-24.24,;30.96,-24.98,;30.93,-26.52,;32.26,-27.32,;33.61,-26.57,;34.93,-27.37,;34.9,-28.91,;33.55,-29.65,;33.52,-31.19,;34.84,-31.98,;34.81,-33.52,;36.19,-31.24,;36.21,-29.7,;33.64,-25.03,;29.59,-27.26,;28.4,-28.25,;30.69,-28.36,;28.22,-26.55,;26.93,-27.39,;25.56,-26.68,;25.49,-25.14,;24.12,-24.43,;26.79,-24.31,;28.15,-25.01,;35.08,-22.61,;36.13,-21.48,;37.66,-21.51,)|
Structure:
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