Target
Aurora kinase A
Ligand
BDBM13534
Substrate
Histone H3
Meas. Tech.
Aurora Kinase Inhibition Assay
pH
7.5±n/a
Temperature
295.15±n/a K
IC50
0.6±n/a nM
Citation
 Moriarty, KJKoblish, HKGarrabrant, TMaisuria, JKhalil, EAli, FPetrounia, IPCrysler, CSMaroney, ACJohnson, DLGalemmo, RA The synthesis and SAR of 2-amino-pyrrolo[2,3-d]pyrimidines: a new class of Aurora-A kinase inhibitors. Bioorg Med Chem Lett 16:5778-83 (2006) [PubMed]  Article 
Target
Name:
Aurora kinase A
Synonyms:
AURKA_MOUSE | Aik | Airk1 | Ark1 | Aura | Aurka | Aurora Kinase A (Aurora-A) | Aurora kinase A | Aurora-family kinase 1 | Aurora/IPL1-related kinase 1 | Ayk1 | Btak | Iak1 | Serine/threonine-protein kinase 6 | Serine/threonine-protein kinase Aurora-A | Serine/threonine-protein kinase Ayk1 | Stk15 | Stk6
Type:
Enzyme
Mol. Mass.:
44791.66
Organism:
Mus musculus (mouse)
Description:
n/a
Residue:
395
Sequence:
MDRCKENCVSRPVKTTVPFGPKRVLVTEQIPSQNLGSASSGQAQRVLCPSNSQRVPSQAQKLGAGQKPAPKQLPAASVPRPVSRLNNPQKNEQPAASGNDSEKEQASLQKTEDTKKRQWTLEDFDIGRPLGKGKFGNVYLARERQSKFILALKVLFKTQLEKANVEHQLRREVEIQSHLRHPNILRLYGYFHDATRVYLILEYAPLGTVYRELQKLSKFDEQRTATYITELANALSYCHSKRVIHRDIKPENLLLGSNGELKIADFGWSVHAPSSRRTTMCGTLDYLPPEMIEGRMHDEKVDLWSLGVLCYEFLVGMPPFEAHTYQETYRRISRVEFTFPDFVTEGARDLISRLLKHNASQRLTLAEVLEHPWIKANSSKPPTGHTSKEPTSKSS
  
Inhibitor
Name:
BDBM13534
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
Type:
Small organic molecule
Emp. Form.:
C23H28N8OS
Mol. Mass.:
464.586
SMILES:
CN1CCN(CC1)c1cc(Nc2cc(C)n[nH]2)nc(Sc2ccc(NC(=O)C3CC3)cc2)n1
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
Histone H3
Synonyms:
H3.1-221 | H3.1-291 | H3.1-I | H31_MOUSE | H3a | H3c1 | H3g | H3h | H3i | Hist1h3a | Hist1h3g | Hist1h3h | Hist1h3i
Type:
Other Protein Type
Mol. Mass.:
15425.07
Organism:
Mus musculus (mouse)
Description:
n/a
Residue:
136
Sequence:
MARTKQTARKSTGGKAPRKQLATKAARKSAPATGGVKKPHRYRPGTVALREIRRYQKSTELLIRKLPFQRLVREIAQDFKTDLRFQSSAVMALQEACEAYLVGLFEDTNLCAIHAKRVTIMPKDIQLARRIRGERA