Reaction Details Report a problem with these data
Target
Aurora kinase A
Ligand
BDBM50106624
Substrate
n/a
Meas. Tech.
ChEMBL_1508718 (CHEMBL3602981)
Kd
0.730000±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:
BDBM50106624
Synonyms:
CHEMBL3600870
Type:
Small organic molecule
Emp. Form.:
C104H148ClFN37O15S
Mol. Mass.:
2243.043
SMILES:
CN(C)c1ccc2C(C3C=CC(C=C3Oc2c1)=[N+](C)C)c1ccc(cc1C(O)=O)C(=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](Cc1ccc(cc1)N=[N+]=[N-])NC(=O)CCCCCNC(=O)[C@@]1(Cc2cccc(Nc3nccs3)n2)CC[C@@H](CC1)Oc1cccc(Cl)c1F)C(N)=O |r,wU:106.110,40.44,62.66,128.132,84.88,wD:73.77,95.99,51.55,36.39,144.154,c:9,12,(27.66,36,;26.6,35.38,;26.6,34.15,;25.26,36.15,;23.93,35.38,;22.6,36.15,;22.59,37.7,;21.26,38.45,;21.26,39.99,;19.92,40.76,;19.92,42.3,;21.25,43.07,;22.59,42.3,;22.59,40.77,;23.92,40,;23.92,38.48,;25.26,37.69,;21.25,44.61,;22.31,45.23,;20.18,45.22,;19.93,37.68,;18.6,38.44,;17.27,37.67,;17.27,36.13,;18.6,35.37,;19.93,36.14,;21.27,35.37,;22.16,35.88,;21.27,34.14,;15.93,35.37,;15.93,34.13,;14.6,36.14,;13.27,35.37,;11.93,36.14,;10.6,35.37,;9.26,36.14,;7.93,35.37,;6.6,36.14,;5.26,35.37,;5.26,34.14,;3.93,36.14,;3.93,37.68,;5.27,38.45,;5.27,39.99,;6.61,40.75,;6.61,42.29,;5.54,42.91,;7.68,42.91,;2.59,35.37,;1.26,36.14,;1.26,37.37,;-.07,35.37,;-.08,33.83,;-1.41,33.06,;-1.42,31.52,;-2.75,30.76,;-2.76,29.22,;-1.69,28.6,;-3.82,28.6,;-1.41,36.14,;-2.74,35.37,;-2.74,34.14,;-4.08,36.14,;-4.07,37.68,;-2.74,38.45,;-2.73,39.99,;-1.4,40.76,;-1.39,42.3,;-2.46,42.92,;-.33,42.91,;-5.41,35.37,;-6.74,36.14,;-6.74,37.37,;-8.08,35.37,;-8.08,33.83,;-9.42,33.07,;-9.42,31.53,;-10.76,30.76,;-10.76,29.22,;-9.7,28.6,;-11.65,28.71,;-9.41,36.14,;-10.75,35.38,;-10.75,34.14,;-12.08,36.15,;-12.08,37.69,;-13.42,38.45,;-13.42,39.99,;-14.75,40.76,;-14.76,42.3,;-13.69,42.92,;-15.82,42.92,;-13.41,35.38,;-14.75,36.15,;-14.75,37.38,;-16.08,35.38,;-16.08,33.84,;-14.75,33.07,;-14.74,31.53,;-13.41,30.76,;-13.41,29.22,;-14.47,28.6,;-12.52,28.71,;-17.42,36.15,;-18.75,35.38,;-18.75,34.15,;-20.08,36.15,;-20.09,37.69,;-21.42,38.46,;-21.42,40,;-22.75,40.77,;-24.09,40,;-24.09,38.46,;-22.76,37.69,;-25.42,40.77,;-25.41,42.31,;-25.41,43.54,;-21.42,35.38,;-22.75,36.15,;-22.75,37.18,;-24.09,35.38,;-25.42,36.15,;-26.75,35.38,;-28.09,36.15,;-29.42,35.38,;-30.76,36.15,;-32.09,35.38,;-32.09,34.15,;-33.42,36.15,;-34.76,35.38,;-34.76,33.84,;-33.43,33.08,;-33.42,31.54,;-34.76,30.76,;-36.09,31.53,;-37.42,30.76,;-38.76,31.52,;-38.9,33.04,;-40.41,33.36,;-41.18,32.03,;-40.14,30.88,;-36.09,33.07,;-34.76,36.88,;-34.76,38.42,;-33.42,39.19,;-32.09,38.42,;-32.09,36.88,;-33.43,40.73,;-34.76,41.5,;-36.09,40.72,;-37.43,41.49,;-37.43,43.03,;-36.1,43.8,;-36.11,45.03,;-34.77,43.04,;-33.7,43.66,;7.93,33.83,;6.87,33.21,;9,33.21,)|
Structure:
Search PDB for entries with ligand similarity: