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TargetAurora kinase A
LigandBDBM13534
Substrate/CompetitorHistone H3
Meas. Tech.Enzyme Inhibition Assay
pH7.5±n/a
Temperature295.15±n/a K
IC50 6±n/a nM
Citation Rawson, TERüth, MBlackwood, EBurdick, DCorson, LDotson, JDrummond, JFields, CGeorges, GJGoller, BHalladay, JHunsaker, TKleinheinz, TKrell, HWLi, JLiang, JLimberg, AMcNutt, AMoffat, JPhillips, GRan, YSafina, BUltsch, MWalker, LWiesmann, CZhang, BZhou, AZhu, BYRüger, PCochran, AG A pentacyclic aurora kinase inhibitor (AKI-001) with high in vivo potency and oral bioavailability. J Med Chem51:4465-75 (2008) [PubMed]  Article
More Info.:Get all data from this article,   Solution Info,  Assay Method
 
Aurora kinase A
Name:Aurora kinase A
Synonyms:ARK1 | AURKA | 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 | 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:n/a
Residue:403
Sequence:
MDRSKENCISGPVKATAPVGGPKRVLVTQQFPCQNPLPVNSGQAQRVLCPSNSSQRVPLQ
AQKLVSSHKPVQNQKQKQLQATSVPHPVSRPLNNTQKSKQPLPSAPENNPEEELASKQKN
EESKKRQWALEDFEIGRPLGKGKFGNVYLAREKQSKFILALKVLFKAQLEKAGVEHQLRR
EVEIQSHLRHPNILRLYGYFHDATRVYLILEYAPLGTVYRELQKLSKFDEQRTATYITEL
ANALSYCHSKRVIHRDIKPENLLLGSAGELKIADFGWSVHAPSSRRTTLCGTLDYLPPEM
IEGRMHDEKVDLWSLGVLCYEFLVGKPPFEANTYQETYKRISRVEFTFPDFVTEGARDLI
SRLLKHNPSQRPMLREVLEHPWITANSSKPSNCQNKESASKQS
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM13534
NameBDBM13534
Synonyms:CHEMBL572878 | N-[4-({4-[(3-methyl-1H-pyrazol-5-yl)amino]-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl}sulfanyl)phenyl]cyclopropanecarboxamide | N-[4-[[4-(4-methylpiperazino)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thio]phenyl]cyclopropanecarboxamide | VX-680 | VX680 | cyclopropane carboxylic acid {4-[4-(4-methyl-piperazin-1-yl)-6-(5-methyl-2H-pyrazol-3-ylamino)-pyrimidin-2ylsulphanyl]-phenyl}-amide
TypeSmall organic molecule
Emp. Form.C23H28N8OS
Mol. Mass.464.586
SMILESCN1CCN(CC1)c1cc(Nc2cc(C)n[nH]2)nc(Sc2ccc(NC(=O)C3CC3)cc2)n1
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least:
Histone H3
Name:Histone H3
Synonyms:GST fusion of N-terminus of Histone H3 (aa 1-18)
Type:Peptide
Mol. Mass.:358.43
Organism:n/a
Description:n/a
Residue:3
Sequence:
n/a