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Cell Reactant:Tubulin
Syringe Reactant:BDBM221069
Meas. Tech.:Enzyme Inhibition
Entry Date:04/06/17
 
ΔG°:-1.22E+3±8.25 (kJ/mole)
pH:n/a
Log10Kb:5.06± 3.27
Temperature:303.15±0 (K)
ΔH° :-830±0 (kJ/mole)
ΔHobs:n/a
Ionic Strength:n/a
Corrected for ΔHioniz:n/a
Protons Released:n/a
ΔCp :n/a
Stoich. Param.:n/a
ΔS° : 1.28±0 (kJ/mole-K)
Comments:n/a
 
Citation Zhao, WZhou, CGuan, ZYYin, PChen, FTang, YJ Structural Insights into the Inhibition of Tubulin by the Antitumor Agent 4-(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
Synonyms:n/a
Type:Protein
Mol. Mass.:50133.43
Organism:Bos taurus (Bovine)
Description:P81947
Residue:451
Sequence:
MRECISIHVGQAGVQIGNACWELYCLEHGIQPDGQMPSDKTIGGGDDSFNTFFSETGAGK
HVPRAVFVDLEPTVIDEVRTGTYRQLFHPEQLITGKEDAANNYARGHYTIGKEIIDLVLD
RIRKLADQCTGLQGFLVFHSFGGGTGSGFTSLLMERLSVDYGKKSKLEFSIYPAPQVSTA
VVEPYNSILTTHTTLEHSDCAFMVDNEAIYDICRRNLDIERPTYTNLNRLISQIVSSITA
SLRFDGALNVDLTEFQTNLVPYPRIHFPLATYAPVISAEKAYHEQLSVAEITNACFEPAN
QMVKCDPRHGKYMACCLLYRGDVVPKDVNAAIATIKTKRSIQFVDWCPTGFKVGINYQPP
TVVPGGDLAKVQRAVCMLSNTTAIAEAWARLDHKFDLMYAKRAFVHWYVGEGMEEGEFSE
AREDMAALEKDYEEVGVDSVEGEGEEEGEEY
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM221069
Source:n/a
Purity:n/a
Prep. Method:n/a
NameBDBM221069
Synonyms:4β-(1,2,4-triazol-3-ylthio)-4-deoxypodophyllotoxin (Compound 1S)
TypeSmall organic molecule
Emp. Form.C24H23N3O7S
Mol. Mass.497.52
SMILESCOc1cc(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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Last update November 1, 2007
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