Reaction Details Report a problem with these data
Target
Tubulin beta chain
Ligand
BDBM50146022
Substrate
n/a
Meas. Tech.
ChEMBL_211665 (CHEMBL821417)
Ki
185000±n/a nM
Citation
 Zavala, F; Guenard, D; Robin, JP; Brown, E Structure--antitubulin activity relationship in steganacin congeners and analogues. Inhibition of tubulin polymerization in vitro by (+/-)-isodeoxypodophyllotoxin. J Med Chem 23:546-9 (1980) [PubMed]  Article 
Target
Name:
Tubulin beta chain
Synonyms:
Beta-tubulin | TBB_PIG | Tubulin beta chain
Type:
PROTEIN
Mol. Mass.:
49840.26
Organism:
Sus scrofa
Description:
ChEMBL_105107
Residue:
445
Sequence:
MREIVHIQAGQCGNQIGAKFWEVISDEHGIDPTGSYHGDSDLQLERINVYYNEAAGNKYVPRAILVDLEPGTMDSVRSGPFGQIFRPDNFVFGQSGAGNNWAKGHYTEGAELVDSVLDVVRKESESCDCLQGFQLTHSLGGGTGSGMGTLLISKIREEYPDRIMNTFSVVPSPKVSDTVVEPYNATLSVHQLVENTDETYCIDNEALYDICFRTLKLTTPTYGDLNHLVSATMSGVTTCLRFPGQLNADLRKLAVNMVPFPRLHFFMPGFAPLTSRGSQQYRALTVPELTQQMFDAKNMMAACDPRHGRYLTVAAVFRGRMSMKEVDEQMLNVQNKNSSYFVEWIPNNVKTAVCDIPPRGLKMSATFIGNSTAIQELFKRISEQFTAMFRRKAFLHWYTGEGMDEMEFTEAESNMNDLVSEYQQYQDATADEQGEFEEEGEEDEA
  
Inhibitor
Name:
BDBM50146022
Synonyms:
CHEMBL346865
Type:
Small organic molecule
Emp. Form.:
C22H24O8
Mol. Mass.:
416.4212
SMILES:
COc1cc(CC2CCOC2=O)c(c(OC)c1OC)-c1cc2OCOc2cc1CO |(-3.44,-16.46,;-1.94,-16.05,;-1.55,-14.56,;-.08,-14.15,;.31,-12.68,;1.86,-12.68,;2.62,-14.01,;4.15,-13.82,;4.82,-15.22,;3.69,-16.26,;2.34,-15.52,;.94,-16.18,;-.78,-11.59,;-2.26,-11.99,;-3.35,-10.9,;-4.83,-11.31,;-2.65,-13.47,;-4.13,-13.89,;-5.22,-12.8,;-.78,-10.05,;-2.26,-9.66,;-2.67,-8.18,;-4.07,-7.48,;-3.83,-5.93,;-2.3,-5.67,;-1.58,-7.07,;-.09,-7.46,;.31,-8.96,;1.81,-9.36,;2.88,-8.27,)|
Structure:
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