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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Aurora kinase A/Targeting protein for Xklp2 [1-43] | ||
| Ligand | BDBM109208 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | Dissociation Kinetics Assay | ||
| Temperature | 303.15±n/a K | ||
| Kd | 0.544±0.022 nM | ||
| Comments | extracted | ||
| Citation |  Lavogina, D; Enkvist, E; Viht, K; Uri, A Long residence times revealed by Aurora A kinase-targeting fluorescent probes derived from inhibitors MLN8237 and VX-689. Chembiochem15:443-50 (2014) [PubMed] Article | ||
| More Info.: | Get all data from this article, Assay Method | ||
| Aurora kinase A/Targeting protein for Xklp2 [1-43] | |||
| Name: | Aurora kinase A/Targeting protein for Xklp2 [1-43] | ||
| Synonyms: | Aurora A/TPX2 (1-43) | ||
| Type: | n/a | ||
| Mol. Mass.: | n/a | ||
| Description: | n/a | ||
| Components: | This complex has 2 components. | ||
| Component 1 | |||
| Name: | Aurora kinase A | ||
| Synonyms: | AIK | AIRK1 | ARK1 | AURA | AURKA | AURKA_HUMAN | AYK1 | 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 | IAK1 | STK15 | STK6 | 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: | O14965 | ||
| Residue: | 403 | ||
| Sequence: |
| ||
| Component 2 | |||
| Name: | Targeting protein for Xklp2 [1-43] | ||
| Synonyms: | C20orf1 | C20orf2 | DIL2 | HCA519 | Microtubule-associated | TPX2 | TPX2 (aa 1-43) | TPX2_HUMAN | ||
| Type: | Protein | ||
| Mol. Mass.: | 4917.03 | ||
| Organism: | Homo sapiens (Human) | ||
| Description: | Q9ULW0[1-43] | ||
| Residue: | 43 | ||
| Sequence: |
| ||
| BDBM109208 | |||
| n/a | |||
| Name | BDBM109208 | ||
| Synonyms: | 2-[(1E,3E)-5-[(2E)-3-(3-{[(5R)-5-carbamoyl-5-{[4- (3-chloro-2-fluorophenoxy)-1-{[6-(1,3-thiazol-2- ylamino)pyridin-2- yl]methyl}cyclohexyl]formamido}pentyl]carbamoyl}propyl)-1- ethyl-3-methyl-5-sulfoindol-2-ylidene]penta-1,3- dien-1-yl]-1-ethyl-3,3-dimethylindol-1-ium-5- sulfonate (Compound III) | Compound III: VX-689*-D-Lys(PromoFluor 647)-NH2 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C60H70ClFN8O10S3 | ||
| Mol. Mass. | 1213.892 | ||
| SMILES | CCN1\C(=C\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@]2(Cc3cccc(Nc4nccs4)n3)CCC(CC2)Oc2cccc(Cl)c2F)C(N)=O)c2cc(ccc12)S(O)(=O)=O |r,wU:42.43,38.40,wD:42.44,c:9,(-16.27,-52.94,;-14.86,-52.31,;-14.7,-50.78,;-15.85,-49.75,;-17.35,-50.07,;-18.44,-48.98,;-19.93,-49.38,;-21.02,-48.29,;-22.51,-48.69,;-23.6,-47.6,;-25.12,-47.84,;-25.82,-49.22,;-27.36,-49.22,;-25.82,-46.47,;-27.3,-46.07,;-27.7,-44.59,;-26.61,-43.5,;-25.13,-43.89,;-24.73,-45.38,;-23.36,-46.08,;-22.27,-44.99,;-21.87,-46.48,;-27.01,-42.01,;-27.41,-40.52,;-25.52,-41.61,;-28.5,-42.41,;-15.22,-48.34,;-15.22,-46.8,;-16.56,-47.57,;-16.56,-46.03,;-17.89,-45.26,;-17.89,-43.72,;-16.56,-42.95,;-19.22,-42.95,;-19.22,-41.41,;-20.56,-40.64,;-20.56,-39.1,;-21.89,-38.33,;-21.89,-36.79,;-23.22,-36.02,;-23.22,-34.48,;-21.89,-33.71,;-24.56,-33.71,;-24.56,-35.25,;-25.89,-36.02,;-25.89,-37.56,;-27.23,-38.34,;-28.56,-37.57,;-28.56,-36.03,;-29.89,-35.26,;-29.89,-33.72,;-31.14,-32.81,;-30.66,-31.35,;-29.12,-31.35,;-28.65,-32.81,;-27.22,-35.26,;-23.22,-32.94,;-23.22,-31.4,;-24.56,-30.63,;-25.89,-31.4,;-25.89,-32.94,;-24.56,-29.09,;-25.89,-28.32,;-27.22,-29.09,;-28.56,-28.32,;-28.56,-26.78,;-27.22,-26.01,;-27.22,-24.47,;-25.89,-26.78,;-24.56,-26.01,;-20.56,-36.02,;-19.22,-36.79,;-20.56,-34.48,;-13.69,-48.51,;-12.55,-47.48,;-11.08,-47.95,;-10.76,-49.46,;-11.91,-50.49,;-13.37,-50.01,;-9.94,-46.92,;-8.85,-45.83,;-11.03,-45.83,;-8.85,-48.01,)| | ||
| Structure | 
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