Reaction Details Report a problem with these data
Target
Aurora kinase A
Ligand
BDBM50106623
Substrate
n/a
Meas. Tech.
ChEMBL_1508718 (CHEMBL3602981)
Kd
0.440000±n/a nM
Citation
 Lavogina, D; Kisand, K; Raidaru, G; Uri, A Fluorescent photoaffinity probes for mitotic protein kinase Aurora A. Bioorg Med Chem Lett 25:3290-4 (2015) [PubMed]  Article 
Target
Name:
Aurora kinase A
Synonyms:
AIK | AIRK1 | ARK1 | AURA | AURKA | AURKA_HUMAN | AYK1 | Aurora 2 | Aurora kinase A (AURA) | Aurora kinase A (AURKA) | Aurora kinase A (Aurora A) | Aurora kinase A (Aurora-2) | Aurora-related kinase 1 | Aurora/IPL1-related kinase 1 | BTAK | Breast tumor-amplified kinase | Breast-tumor-amplified kinase | IAK1 | STK15 | STK6 | Serine/threonine kinase 15 | Serine/threonine-protein kinase 6 | Serine/threonine-protein kinase aurora A | aurora-2 | hARK1
Type:
Serine/threonine-protein kinase
Mol. Mass.:
45830.98
Organism:
Homo sapiens (Human)
Description:
O14965
Residue:
403
Sequence:
MDRSKENCISGPVKATAPVGGPKRVLVTQQFPCQNPLPVNSGQAQRVLCPSNSSQRVPLQAQKLVSSHKPVQNQKQKQLQATSVPHPVSRPLNNTQKSKQPLPSAPENNPEEELASKQKNEESKKRQWALEDFEIGRPLGKGKFGNVYLAREKQSKFILALKVLFKAQLEKAGVEHQLRREVEIQSHLRHPNILRLYGYFHDATRVYLILEYAPLGTVYRELQKLSKFDEQRTATYITELANALSYCHSKRVIHRDIKPENLLLGSAGELKIADFGWSVHAPSSRRTTLCGTLDYLPPEMIEGRMHDEKVDLWSLGVLCYEFLVGKPPFEANTYQETYKRISRVEFTFPDFVTEGARDLISRLLKHNPSQRPMLREVLEHPWITANSSKPSNCQNKESASKQS
  
Inhibitor
Name:
BDBM50106623
Synonyms:
CHEMBL3600871
Type:
Small organic molecule
Emp. Form.:
C75H80ClFN11O10S
Mol. Mass.:
1382.021
SMILES:
CN(C)c1ccc2c(-c3ccc(cc3C(O)=O)C(=O)NCCCC[C@H](NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](Cc3ccccc3)NC(=O)CCCNC(=O)[C@@]3(Cc4cccc(Nc5nccs5)n4)CC[C@@H](CC3)Oc3cccc(Cl)c3F)C(N)=O)c3ccc(cc3oc2c1)=[N+](C)C |r,wU:56.58,39.41,wD:72.80,28.29,24.24,(-6.4,.92,;-5.34,1.54,;-5.34,2.77,;-4,.77,;-4,-.77,;-2.67,-1.54,;-1.33,-.77,;,-1.54,;0,-3.08,;1.34,-3.84,;1.35,-5.38,;.03,-6.16,;-1.31,-5.4,;-1.32,-3.86,;-2.66,-3.1,;-2.67,-2.07,;-3.73,-3.73,;.04,-7.7,;-1.02,-8.33,;1.38,-8.46,;1.39,-10,;2.74,-10.76,;2.75,-12.3,;4.09,-13.06,;4.1,-14.6,;5.44,-15.36,;5.46,-16.9,;4.4,-17.53,;6.8,-17.66,;8.12,-16.88,;8.11,-15.34,;9.43,-14.55,;9.41,-13.01,;8.07,-12.26,;6.75,-13.04,;6.77,-14.58,;6.81,-19.2,;8.15,-19.96,;9.21,-19.34,;8.17,-21.5,;6.84,-22.28,;5.5,-21.52,;4.17,-22.3,;2.83,-21.53,;2.82,-19.99,;4.15,-19.22,;5.49,-19.98,;9.51,-22.26,;9.52,-23.8,;8.46,-24.43,;10.86,-24.56,;10.88,-26.1,;12.22,-26.86,;12.23,-28.4,;13.57,-29.16,;14.63,-28.54,;13.58,-30.7,;14.93,-31.46,;16.25,-30.68,;16.24,-29.14,;17.56,-28.36,;18.91,-29.11,;18.92,-30.65,;20.27,-31.41,;21.59,-30.62,;21.71,-29.1,;23.21,-28.76,;24,-30.08,;22.99,-31.24,;17.6,-31.44,;13.64,-32.22,;12.31,-33,;10.97,-32.24,;10.95,-30.7,;12.28,-29.92,;9.64,-33.03,;9.66,-34.57,;11,-35.32,;11.02,-36.86,;9.7,-37.65,;8.35,-36.9,;7.29,-37.52,;8.33,-35.36,;7.26,-34.75,;2.77,-15.38,;2.78,-16.61,;1.7,-14.77,;1.31,-.77,;2.67,-1.54,;4,-.77,;4,.77,;2.67,1.54,;1.31,.77,;,1.54,;-1.33,.77,;-2.67,1.54,;5.33,1.54,;6.4,.93,;5.33,2.78,)|
Structure:
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