Ki Summary

Reaction Details

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Target

Aurora kinase A

Ligand

BDBM50363992

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_804139 (CHEMBL1952704)

27200±n/a nM

Citation

Shomin, CD; Restituyo, E; Cox, KJ; Ghosh, I Selection of cyclic-peptide inhibitors targeting Aurora kinase A: problems and solutions. Bioorg Med Chem19:6743-9 (2011) [PubMed] Article

More Info.:

Get all data from this article, Assay Method

Aurora kinase A

Name:

Aurora kinase A

Synonyms:

Type:

Serine/threonine-protein kinase

Mol. Mass.:

45830.98

Organism:

Homo sapiens (Human)

Description:

O14965

Residue:

403

Sequence:

MDRSKENCISGPVKATAPVGGPKRVLVTQQFPCQNPLPVNSGQAQRVLCPSNSSQRVPLQ
AQKLVSSHKPVQNQKQKQLQATSVPHPVSRPLNNTQKSKQPLPSAPENNPEEELASKQKN
EESKKRQWALEDFEIGRPLGKGKFGNVYLAREKQSKFILALKVLFKAQLEKAGVEHQLRR
EVEIQSHLRHPNILRLYGYFHDATRVYLILEYAPLGTVYRELQKLSKFDEQRTATYITEL
ANALSYCHSKRVIHRDIKPENLLLGSAGELKIADFGWSVHAPSSRRTTLCGTLDYLPPEM
IEGRMHDEKVDLWSLGVLCYEFLVGKPPFEANTYQETYKRISRVEFTFPDFVTEGARDLI
SRLLKHNPSQRPMLREVLEHPWITANSSKPSNCQNKESASKQS

BDBM50363992

n/a

Name

BDBM50363992

Synonyms:

CHEMBL1950043

Type

Small organic molecule

Emp. Form.

C51H71N15O10S2

Mol. Mass.

1118.334

SMILES

CC(C)C[C@@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](NC(=O)[C@@H](N)CSSC[C@H](NC1=O)C(=O)NCC(N)=O)[C@@H](C)O |r,wU:8.8,22.24,36.44,43.48,54.80,75.82,4.3,wD:64.73,58.63,(38.16,-16.42,;38.17,-14.87,;39.66,-14.47,;37.4,-13.53,;35.86,-13.54,;35.08,-12.21,;34.64,-9.81,;33.14,-9.8,;35.09,-8.4,;36.53,-7.83,;37.86,-8.61,;38.02,-10.14,;39.53,-10.46,;40.3,-9.13,;41.78,-8.82,;42.26,-7.37,;41.24,-6.22,;39.74,-6.54,;39.27,-7.99,;33.75,-7.6,;33.76,-6.06,;35.1,-5.31,;32.51,-5.39,;32.57,-3.85,;33.93,-3.12,;35.32,-3.79,;36.4,-2.68,;35.67,-1.31,;36.2,.13,;35.2,1.31,;33.68,1.04,;33.16,-.41,;34.15,-1.58,;31.1,-6.01,;29.77,-5.25,;29.77,-3.71,;28.43,-6,;27,-5.6,;26.16,-6.83,;27.08,-8,;28.48,-7.48,;29.76,-8.35,;31.14,-7.67,;29.75,-9.89,;28.4,-10.64,;27.07,-9.85,;25.72,-10.6,;24.39,-9.81,;23.03,-10.57,;21.71,-9.78,;23.01,-12.11,;31.08,-10.66,;31.07,-12.2,;32.4,-12.99,;29.73,-12.97,;29.72,-14.51,;28.38,-15.27,;27.06,-14.5,;28.38,-16.81,;27.04,-17.58,;29.71,-17.59,;31.04,-16.82,;32.46,-17.56,;33.79,-16.78,;35.12,-17.56,;35.88,-16.22,;35.1,-14.89,;33.56,-14.91,;35.89,-18.89,;37.43,-18.89,;35.12,-20.22,;35.89,-21.55,;35.13,-22.88,;35.89,-24.23,;33.59,-22.88,;28.39,-12.19,;27.05,-12.96,;27.29,-11.09,)|

Structure