Ki Summary

Reaction Details

Report a problem with these data

Target

Aurora kinase A

Ligand

BDBM50106627

Substrate

n/a

Meas. Tech.

ChEMBL_1508718 (CHEMBL3602981)

5.7±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

More Info.:

Get all data from this article, Assay Method

Target

Name:

Aurora kinase A

Synonyms:

Type:

Serine/threonine-protein kinase

Mol. Mass.:

45830.98

Organism:

Homo sapiens (Human)

Description:

O14965

Residue:

403

Sequence:

MDRSKENCISGPVKATAPVGGPKRVLVTQQFPCQNPLPVNSGQAQRVLCPSNSSQRVPLQAQKLVSSHKPVQNQKQKQLQATSVPHPVSRPLNNTQKSKQPLPSAPENNPEEELASKQKNEESKKRQWALEDFEIGRPLGKGKFGNVYLAREKQSKFILALKVLFKAQLEKAGVEHQLRREVEIQSHLRHPNILRLYGYFHDATRVYLILEYAPLGTVYRELQKLSKFDEQRTATYITELANALSYCHSKRVIHRDIKPENLLLGSAGELKIADFGWSVHAPSSRRTTLCGTLDYLPPEMIEGRMHDEKVDLWSLGVLCYEFLVGKPPFEANTYQETYKRISRVEFTFPDFVTEGARDLISRLLKHNPSQRPMLREVLEHPWITANSSKPSNCQNKESASKQS

Inhibitor

Name:

BDBM50106627

Synonyms:

CHEMBL3600764

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:51.53,139.142,106.108,73.75,95.97,wD:84.86,120.123,62.64,40.42,36.37,155.164,c:7,(37.18,-30.09,;37.63,-28.95,;36.68,-27.74,;35.15,-27.8,;34.31,-29.09,;32.77,-29.01,;31.93,-30.3,;30.39,-30.21,;29.44,-31.39,;29.86,-32.87,;31.05,-33.17,;28,-30.86,;26.64,-31.59,;25.33,-30.75,;25.4,-29.21,;26.78,-28.49,;28.07,-29.33,;29.55,-28.92,;30.77,-28.74,;28.75,-27.98,;24.09,-28.4,;23,-28.98,;24.13,-27.17,;23.05,-27.74,;34.6,-26.41,;34.29,-25.22,;33.55,-27.51,;32.05,-27.18,;31.59,-25.71,;30.08,-25.37,;29.25,-26.27,;29.62,-23.9,;28.12,-23.56,;27.66,-22.09,;26.16,-21.75,;25.7,-20.28,;24.2,-19.94,;23.74,-18.47,;22.24,-18.14,;21.4,-19.04,;21.78,-16.67,;22.82,-15.54,;24.32,-15.88,;25.37,-14.74,;26.87,-15.08,;27.92,-13.95,;27.55,-12.78,;29.12,-14.23,;20.27,-16.33,;19.81,-14.86,;20.65,-13.95,;18.31,-14.52,;17.27,-15.65,;15.76,-15.31,;14.72,-16.44,;13.22,-16.1,;12.17,-17.23,;12.53,-18.41,;11.17,-17.01,;17.85,-13.05,;16.35,-12.71,;15.52,-13.62,;15.89,-11.24,;16.94,-10.11,;18.44,-10.45,;19.48,-9.32,;20.99,-9.66,;22.03,-8.53,;21.67,-7.35,;23.23,-8.8,;14.39,-10.9,;13.93,-9.43,;14.76,-8.53,;12.43,-9.1,;11.38,-10.23,;11.85,-11.7,;10.8,-12.84,;11.27,-14.31,;10.22,-15.44,;9.02,-15.17,;10.53,-16.42,;11.97,-7.63,;10.46,-7.29,;9.63,-8.19,;10,-5.82,;11.05,-4.68,;12.55,-5.02,;13.59,-3.88,;15.09,-4.22,;16.13,-3.08,;15.77,-1.91,;17.34,-3.35,;8.5,-5.48,;8.04,-4.01,;8.88,-3.11,;6.54,-3.67,;5.5,-4.81,;5.96,-6.28,;4.92,-7.41,;5.38,-8.88,;4.34,-10.02,;3.14,-9.75,;4.71,-11.19,;6.08,-2.2,;4.58,-1.87,;3.74,-2.77,;4.12,-.4,;5.16,.73,;6.67,.4,;7.12,-1.08,;8.62,-1.42,;9.67,-.29,;9.21,1.18,;7.71,1.52,;11.17,-.64,;11.62,-2.11,;11.98,-3.28,;2.62,-.06,;2.16,1.41,;2.99,2.32,;.65,1.75,;-.39,.62,;-1.89,.96,;-2.94,-.17,;-4.44,.16,;-4.9,1.63,;-3.86,2.76,;-2.35,2.43,;-6.4,1.97,;-6.86,3.44,;-7.22,4.62,;.19,3.22,;-1.31,3.56,;-2,2.8,;-1.77,5.03,;-3.27,5.37,;-3.73,6.84,;-5.23,7.17,;-6.07,6.27,;-5.69,8.64,;-7.2,8.98,;-8.24,7.85,;-9.74,8.18,;-10.78,7.05,;-10.32,5.58,;-8.82,5.25,;-8.36,3.78,;-9.39,2.64,;-9.07,1.15,;-10.41,.39,;-11.55,1.43,;-10.91,2.83,;-7.78,6.38,;-6.18,10.08,;-5.14,11.21,;-3.64,10.88,;-3.18,9.41,;-4.22,8.28,;-2.59,12.01,;-3.06,13.48,;-4.56,13.81,;-5.02,15.28,;-3.98,16.42,;-2.48,16.08,;-1.65,16.99,;-2.02,14.62,;-.81,14.35,;23.16,-21.08,;21.95,-20.81,;23.53,-22.25,;35.78,-25.43,;35.84,-23.89,;37.23,-23.18,;38.52,-24.02,;38.45,-25.57,;37.07,-26.26,;37.32,-21.65,;37.39,-20.42,;38.42,-21.09,;36.29,-20.97,)|

Structure: