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Target
Aurora kinase A
Ligand
BDBM50106625
Substrate
n/a
Meas. Tech.
ChEMBL_1508718 (CHEMBL3602981)
Kd
2.5±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:
BDBM50106625
Synonyms:
CHEMBL3600869
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:139.142,73.75,106.108,95.97,51.53,wD:120.123,62.64,40.42,36.37,84.86,155.164,c:7,(33.39,-23.49,;32.18,-23.73,;31.69,-25.19,;32.56,-26.41,;34.1,-26.39,;34.88,-27.72,;36.42,-27.71,;37.21,-29.03,;38.71,-29.16,;39.71,-27.99,;39.3,-26.83,;39.07,-30.65,;40.43,-31.38,;40.46,-32.94,;39.15,-33.74,;37.78,-32.99,;37.76,-31.45,;36.6,-30.45,;36.26,-31.63,;35.78,-29.54,;39.2,-35.27,;40.28,-35.86,;38.15,-35.92,;39.24,-36.51,;31.68,-27.66,;30.85,-28.57,;33.18,-27.94,;33.72,-29.38,;32.73,-30.57,;33.27,-32.01,;34.48,-32.22,;32.28,-33.2,;32.82,-34.64,;31.83,-35.83,;32.37,-37.27,;31.38,-38.46,;31.92,-39.9,;30.93,-41.09,;31.47,-42.53,;32.68,-42.74,;30.48,-43.72,;28.97,-43.46,;27.98,-44.65,;26.46,-44.39,;25.48,-45.58,;23.96,-45.32,;23.53,-44.17,;23.18,-46.27,;31.02,-45.16,;30.03,-46.35,;28.82,-46.14,;30.57,-47.79,;32.09,-48.05,;33.07,-46.86,;34.59,-47.12,;35.57,-45.93,;37.09,-46.19,;37.52,-47.34,;37.87,-45.24,;29.58,-48.98,;30.12,-50.42,;31.33,-50.63,;29.14,-51.61,;27.62,-51.35,;26.63,-52.54,;25.12,-52.28,;24.13,-53.47,;22.62,-53.21,;22.19,-52.06,;21.83,-54.16,;29.67,-53.05,;28.69,-54.24,;27.47,-54.03,;29.22,-55.68,;30.74,-55.94,;31.27,-57.39,;32.79,-57.65,;33.32,-59.1,;34.84,-59.36,;35.62,-58.41,;35.19,-60.32,;28.24,-56.87,;28.77,-58.31,;29.98,-58.52,;27.79,-59.5,;26.27,-59.24,;25.29,-60.43,;23.77,-60.17,;22.79,-61.36,;21.27,-61.1,;20.84,-59.95,;20.48,-62.05,;28.32,-60.94,;27.34,-62.13,;26.12,-61.92,;27.87,-63.57,;29.39,-63.83,;30.37,-62.64,;31.89,-62.9,;32.87,-61.71,;34.39,-61.97,;34.82,-63.12,;35.05,-61.18,;26.89,-64.76,;25.37,-64.5,;24.94,-63.34,;24.39,-65.68,;24.92,-67.13,;26.44,-67.38,;27.42,-66.19,;28.94,-66.45,;29.48,-67.89,;28.5,-69.08,;26.98,-68.82,;31,-68.14,;31.98,-66.95,;32.76,-66,;22.87,-65.43,;21.88,-66.61,;22.31,-67.77,;20.37,-66.35,;19.83,-64.91,;18.31,-64.65,;17.78,-63.21,;16.26,-62.95,;15.27,-64.14,;15.81,-65.58,;17.33,-65.84,;13.76,-63.87,;13.23,-62.43,;12.8,-61.27,;19.38,-67.54,;17.86,-67.28,;17.51,-66.32,;16.88,-68.47,;15.36,-68.21,;14.38,-69.39,;12.86,-69.13,;12.43,-67.98,;11.88,-70.32,;10.36,-70.06,;9.82,-68.62,;10.81,-67.43,;10.27,-65.99,;8.76,-65.73,;7.77,-66.91,;6.25,-66.66,;5.27,-67.84,;3.75,-67.73,;3.18,-69.16,;4.37,-70.14,;5.67,-69.31,;8.31,-68.36,;13.38,-70.54,;13.91,-71.98,;12.93,-73.17,;11.41,-72.91,;10.88,-71.46,;13.47,-74.61,;14.99,-74.87,;15.97,-73.68,;17.49,-73.93,;18.03,-75.37,;17.05,-76.56,;17.48,-77.71,;15.53,-76.31,;14.75,-77.26,;33.44,-40.16,;33.86,-41.31,;34.22,-39.21,;30.22,-27.19,;28.89,-27.97,;27.55,-27.18,;27.55,-25.65,;28.9,-24.86,;30.23,-25.65,;26.21,-27.94,;26.2,-29.17,;25.15,-27.32,;25.14,-28.55,)|
Structure:
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