Target Binding Site Detail

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Target General Information
Ligand General Information
Drug Binding Sites of Target
References
Target General Information  Top
Target ID T87675 Target Info
Target Name Aurora kinase A (AURKA)
Synonyms hARK1; Serine/threonine-protein kinase aurora-A; Serine/threonine-protein kinase 6; Serine/threonine-protein kinase 15; Serine/threonine kinase 15; STK6; STK15; IAK1; Breast tumor-amplified kinase; BTAK; Aurora/IPL1-related kinase 1; Aurora-related kinase 1; Aurora-A; Aurora 2; AYK1; AURA; ARK1; ARK-1; AIRK1; AIK
Target Type Clinical trial Target
Gene Name AURKA
Biochemical Class Kinase
UniProt ID
AURKA_HUMAN
Ligand General Information  Top
Ligand Name 4-[(5-Methyl-1h-Pyrazol-3-Yl)amino]-2-Phenylphthalazin-1(2h)-One Ligand Info
Canonical SMILES CC1=CC(=NN1)NC2=NN(C(=O)C3=CC=CC=C32)C4=CC=CC=C4
InChI 1S/C18H15N5O/c1-12-11-16(21-20-12)19-17-14-9-5-6-10-15(14)18(24)23(22-17)13-7-3-2-4-8-13/h2-11H,1H3,(H2,19,20,21,22)
InChIKey DSDIWWSXOOXFSI-UHFFFAOYSA-N
PubChem Compound ID 11652621
Drug Binding Sites of Target  Top
PDB ID: 3W16      Structure of Aurora kinase A complexed to pyrazole-aminoquinoline inhibitor III
Method X-ray diffraction Resolution 2.80 Å Mutation No [1]
PDB Sequence
RQWALEDFEI
135
GRPLGKGKFG
145
NVYLAREKQS
155
KFILALKVLF
165
KAQLEKAGVE
175

HQLRREVEIQ
185
SHLRHPNILR
195
LYGYFHDATR
205
VYLILEYAPL
215
GTVYRELQKL
225

SKFDEQRTAT
235
YITELANALS
245
YCHSKRVIHR
255
DIKPENLLLG
265
SAGELKIADF
275

GWSVGTLDYL
296
PPEMIEGDEK
309
VDLWSLGVLC
319
YEFLVGKPPF
329
EANTYQETYK
339

RISRVEFTFP
349
DFVTEGARDL
359
ISRLLKHNPS
369
QRPMLREVLE
379
HPWITANSS
Residue
Distance (Å)
ARG137
3.912
LEU139
2.993
GLY140
3.599
LYS141
4.167
VAL147
3.709
ALA160
3.749
LEU194
3.933
LEU210
4.252
Residue
Distance (Å)
GLU211
2.919
TYR212
3.456
ALA213
2.719
PRO214
3.650
LEU215
4.373
GLY216
3.525
THR217
3.845
LEU263
3.422
PDB ID: 3P9J      Aurora A kinase domain with phthalazinone pyrazole inhibitor
Method X-ray diffraction Resolution 2.80 Å Mutation Yes [2]
PDB Sequence
RQWALEDFEI
135
GRPLGKGKFG
145
NVYLAREKQS
155
KFILALKVLF
165
KAQLEKAGVE
175

HQLRREVEIQ
185
SHLRHPNILR
195
LYGYFHDATR
205
VYLILEYAPL
215
GTVYRELQKL
225

SKFDEQRTAT
235
YITELANALS
245
YCHSKRVIHR
255
DIKPENLLLG
265
SAGELKIADF
275

GWSVGTLDYL
296
PPEMIEGDEK
309
VDLWSLGVLC
319
YEFLVGKPPF
329
EANTYQETYK
339

RISRVEFTFP
349
DFVTEGARDL
359
ISRLLKHNPS
369
QRPMLREVLE
379
HPWITANSS
Residue
Distance (Å)
ARG137
4.085
LEU139
3.074
GLY140
3.737
LYS141
4.166
VAL147
3.879
ALA160
3.499
LEU194
3.919
LEU210
3.916
Residue
Distance (Å)
GLU211
2.989
TYR212
3.515
ALA213
2.764
PRO214
3.336
LEU215
4.145
GLY216
3.348
THR217
4.243
LEU263
3.573
References  Top
REF 1 Flexibility and multiple conformations of the activation and glycine rich loops of Aurora A accompanying inhibitor binding
REF 2 Phthalazinone pyrazoles as potent, selective, and orally bioavailable inhibitors of Aurora-A kinase. J Med Chem. 2011 Jan 13;54(1):312-9.

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