Reaction Details  Report a problem with these data
Cell Reactant:
Tubulin
Syringe Reactant:
BDBM221069
Meas. Tech.:
Enzyme Inhibition
Entry Date.:
04/06/17
ΔG°:
-291.15±0 (kcal/mole)
Log10Kb:
3.3
Temperature:
303.15±0 (K)
ΔH° :
-198.52±0 (kJ/mole)
ΔS° :
0.31±0 (kJ/mole-K)
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 Biol 12:746-752 (2017) [PubMed]  Article
Cell React
Name:
Tubulin alpha-1B chain
Synonyms:
TBA1B_BOVIN | Tubulin
Type:
Protein
Mol. Mass.:
50133.43
Organism:
Bos taurus (Bovine)
Description:
P81947
Residue:
451
Sequence:
MRECISIHVGQAGVQIGNACWELYCLEHGIQPDGQMPSDKTIGGGDDSFNTFFSETGAGKHVPRAVFVDLEPTVIDEVRTGTYRQLFHPEQLITGKEDAANNYARGHYTIGKEIIDLVLDRIRKLADQCTGLQGFLVFHSFGGGTGSGFTSLLMERLSVDYGKKSKLEFSIYPAPQVSTAVVEPYNSILTTHTTLEHSDCAFMVDNEAIYDICRRNLDIERPTYTNLNRLISQIVSSITASLRFDGALNVDLTEFQTNLVPYPRIHFPLATYAPVISAEKAYHEQLSVAEITNACFEPANQMVKCDPRHGKYMACCLLYRGDVVPKDVNAAIATIKTKRSIQFVDWCPTGFKVGINYQPPTVVPGGDLAKVQRAVCMLSNTTAIAEAWARLDHKFDLMYAKRAFVHWYVGEGMEEGEFSEAREDMAALEKDYEEVGVDSVEGEGEEEGEEY
  
Syringe React
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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