Reaction Details | |||
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Cell Reactant: | Tubulin | ||
Syringe Reactant: | BDBM221069 | ||
Meas. Tech.: | Enzyme Inhibition | ||
Entry Date: | 04/06/17 | ||
ΔG°: | -291±1.97 (kcal/mole) | ||
pH: | n/a | ||
Log10Kb: | 5.06± 3.27 | ||
Temperature: | 303.15±0 (K) | ||
ΔH° : | -199±0 (kcal/mole) | ||
ΔHobs: | n/a | ||
Ionic Strength: | n/a | ||
n/a | |||
Protons Released: | n/a | ||
ΔCp : | n/a | ||
Stoich. Param.: | n/a | ||
ΔS° : | 0.310±0 (kcal/mole-K) | ||
Comments: | n/a | ||
Citation | Zhao, W; Zhou, C; Guan, ZY; Yin, P; Chen, F; Tang, YJ Structural Insights into the Inhibition of Tubulin by the Antitumor Agent 4ß-(1,2,4-triazol-3-ylthio)-4-deoxypodophyllotoxin. ACS Chem Biol12:746-752 (2017) [PubMed] Article | ||
More Info.: | Get all data from this article , ITC RUN data | ||
Tubulin | |||
Source: | n/a | ||
Purity: | n/a | ||
Prep. Method: | n/a | ||
Name: | Tubulin alpha-1B chain | ||
Synonyms: | TBA1B_BOVIN | Tubulin | ||
Type: | Protein | ||
Mol. Mass.: | 50133.43 | ||
Organism: | Bos taurus (Bovine) | ||
Description: | P81947 | ||
Residue: | 451 | ||
Sequence: |
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BDBM221069 | |||
Source: | n/a | ||
Purity: | n/a | ||
Prep. Method: | n/a | ||
Name | BDBM221069 | ||
Synonyms: | 4β-(1,2,4-triazol-3-ylthio)-4-deoxypodophyllotoxin (Compound 1S) | ||
Type | Small organic molecule | ||
Emp. Form. | C24H23N3O7S | ||
Mol. Mass. | 497.52 | ||
SMILES | COc1cc(cc(OC)c1OC)[C@H]1[C@@H]2[C@H](COC2=O)[C@H](Sc2nc[nH]n2)c2cc3OCOc3cc12 |r| | ||
Structure |
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