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Target
Aurora kinase A
Ligand
BDBM50106626
Substrate
n/a
Meas. Tech.
ChEMBL_1508718 (CHEMBL3602981)
Kd
6.1±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 | ARK-1 | 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 | STK15 GN | STK6 | Serine/threonine kinase 15 | Serine/threonine-protein kinase 15 | Serine/threonine-protein kinase 6 | Serine/threonine-protein kinase aurora A | Serine/threonine-protein kinase aurora-A | Synonyms=AIK | aurora-2 | hARK1
Type:
Serine/threonine-protein kinase
Mol. Mass.:
45830.98
Organism:
Homo sapiens (Human)
Description:
O14965
Residue:
403
Sequence:
MDRSKENCISGPVKATAPVGGPKRVLVTQQFPCQNPLPVNSGQAQRVLCPSNSSQRIPLQAQKLVSSHKPVQNQKQKQLQATSVPHPVSRPLNNTQKSKQPLPSAPENNPEEELASKQKNEESKKRQWALEDFEIGRPLGKGKFGNVYLAREKQSKFILALKVLFKAQLEKAGVEHQLRREVEIQSHLRHPNILRLYGYFHDATRVYLILEYAPLGTVYRELQKLSKFDEQRTATYITELANALSYCHSKRVIHRDIKPENLLLGSAGELKIADFGWSVHAPSSRRTTLCGTLDYLPPEMIEGRMHDEKVDLWSLGVLCYEFLVGKPPFEANTYQETYKRISRVEFTFPDFVTEGARDLISRLLKHNPSQRPMLREVLEHPWITANSSKPSNCQNKESASKQS
  
Inhibitor
Name:
BDBM50106626
Synonyms:
CHEMBL3600868
Type:
Small organic molecule
Emp. Form.:
C115H162ClFN41O19S3
Mol. Mass.:
2573.426
SMILES:
CCN1\C(=C\C=C\C2=[N+](CC)c3ccc(cc3C2(C)C)S(O)(=O)=O)C(C)(CCCC(=O)NCCCC[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccc(cc2)N=[N+]=[N-])NC(=O)[C@@H](Cc2ccc(cc2)N=[N+]=[N-])NC(=O)CCNC(=O)[C@@]2(Cc3cccc(Nc4nccs4)n3)CC[C@@H](CC2)Oc2cccc(Cl)c2F)C(N)=O)c2cc(ccc12)S(O)(=O)=O |r,wU:51.53,106.108,95.97,139.142,36.37,73.75,wD:40.42,62.64,84.86,120.123,155.164,c:7,(5.48,2.13,;6.59,2.66,;7.86,1.8,;7.89,.3,;6.65,-.62,;6.82,-2.15,;5.58,-3.06,;5.75,-4.59,;7.09,-5.36,;8.49,-4.73,;8.62,-3.5,;6.77,-6.86,;7.69,-8.1,;7.05,-9.52,;5.52,-9.67,;4.6,-8.41,;5.25,-7.01,;4.63,-5.61,;4.27,-4.43,;3.82,-6.53,;4.9,-11.08,;4.4,-12.21,;3.67,-11.22,;5.63,-12.07,;9.35,-.17,;10.56,-.4,;8.32,-1.3,;8.76,-2.78,;10.26,-3.13,;10.7,-4.61,;9.85,-5.5,;12.2,-4.96,;12.64,-6.44,;14.13,-6.8,;14.58,-8.27,;16.07,-8.63,;16.52,-10.1,;18.01,-10.46,;18.46,-11.93,;17.61,-12.83,;19.95,-12.29,;21.01,-11.17,;22.51,-11.53,;23.57,-10.41,;25.07,-10.77,;26.13,-9.65,;25.78,-8.47,;27.33,-9.94,;20.4,-13.77,;21.89,-14.12,;22.74,-13.23,;22.34,-15.6,;21.28,-16.72,;21.72,-18.19,;20.67,-19.32,;21.11,-20.79,;20.06,-21.91,;18.86,-21.63,;20.41,-23.09,;23.83,-15.95,;24.28,-17.43,;23.43,-18.32,;25.77,-17.79,;26.83,-16.67,;28.33,-17.03,;29.39,-15.91,;30.89,-16.27,;31.95,-15.15,;31.6,-13.97,;33.15,-15.43,;26.22,-19.26,;27.71,-19.62,;28.56,-18.72,;28.16,-21.09,;27.1,-22.21,;27.54,-23.69,;26.49,-24.81,;26.93,-26.29,;25.88,-27.41,;24.68,-27.13,;26.23,-28.59,;29.65,-21.45,;30.1,-22.92,;29.25,-23.82,;31.59,-23.28,;32.65,-22.16,;32.22,-20.69,;33.28,-19.57,;32.84,-18.09,;33.9,-16.97,;35.1,-17.26,;33.55,-15.79,;32.04,-24.76,;33.53,-25.11,;34.38,-24.22,;33.97,-26.59,;32.92,-27.71,;33.36,-29.18,;32.31,-30.31,;30.81,-29.95,;29.75,-31.08,;30.11,-32.25,;28.55,-30.79,;35.47,-26.94,;35.91,-28.42,;35.07,-29.31,;37.41,-28.77,;38.47,-27.66,;38.04,-26.18,;36.54,-25.82,;36.1,-24.35,;37.16,-23.23,;38.65,-23.59,;39.09,-25.06,;36.71,-21.76,;35.21,-21.4,;34.02,-21.12,;37.85,-30.25,;39.35,-30.61,;40.2,-29.71,;39.79,-32.08,;38.73,-33.2,;37.24,-32.84,;36.8,-31.37,;35.3,-31,;34.24,-32.12,;34.68,-33.6,;36.18,-33.96,;32.75,-31.76,;31.69,-32.88,;30.84,-33.77,;41.29,-32.44,;41.73,-33.91,;40.89,-34.81,;43.23,-34.27,;43.67,-35.75,;45.17,-36.1,;45.61,-37.58,;44.77,-38.47,;47.11,-37.93,;47.55,-39.41,;46.5,-40.53,;46.94,-42,;45.88,-43.12,;44.38,-42.76,;43.94,-41.29,;42.44,-40.93,;42.01,-39.45,;42.95,-38.25,;42.08,-36.98,;40.61,-37.42,;40.56,-38.96,;45,-40.17,;46.64,-36.49,;47.7,-35.37,;49.2,-35.73,;49.64,-37.2,;48.58,-38.32,;50.26,-34.61,;51.75,-34.97,;52.19,-36.44,;53.69,-36.8,;54.75,-35.69,;54.31,-34.21,;55.16,-33.32,;52.81,-33.85,;52.47,-32.67,;15.46,-11.22,;15.81,-12.4,;14.26,-10.93,;10.23,1.08,;11.76,1.25,;12.36,2.69,;11.44,3.92,;9.89,3.73,;9.3,2.3,;13.89,2.89,;14.64,1.91,;15.11,3.05,;14.36,4.03,)|
Structure:
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