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Target
Tubulin beta chain
Ligand
BDBM50485690
Substrate
n/a
Meas. Tech.
ChEMBL_853430 (CHEMBL2155288)
EC50
680±n/a nM
Citation
 Lis, LG; Smart, MA; Luchniak, A; Gupta, ML; Gurvich, VJ Synthesis and Biological Evaluation of a Biotinylated Paclitaxel With an Extra-Long Chain Spacer Arm. ACS Med Chem Lett 3:745-748 (2012) [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:
BDBM50485690
Synonyms:
CHEMBL2152244
Type:
Small organic molecule
Emp. Form.:
C72H92N6O19S
Mol. Mass.:
1377.595
SMILES:
[H][C@@]12C[C@H](OC(=O)CCNC(=O)CCCCCNC(=O)CCCCCNC(=O)CCCC[C@@H]3SC[C@]4([H])NC(=O)N[C@]34[H])[C@@]3(C)C(=O)[C@H](OC(C)=O)C4=C(C)[C@H](C[C@@](O)([C@@H](OC(=O)c5ccccc5)[C@]3([H])[C@@]1(CO2)OC(C)=O)C4(C)C)OC(=O)[C@H](O)[C@@H](NC(=O)c1ccccc1)c1ccccc1 |r,wU:47.49,57.59,43.45,3.3,35.35,41.43,wD:86.93,59.61,55.87,71.79,84.91,69.73,1.0,32.31,c:54,(10.04,-20.96,;8.74,-21.73,;8.74,-20.19,;7.39,-19.42,;8.72,-18.63,;10.06,-17.85,;10.05,-16.3,;11.41,-18.62,;12.75,-17.83,;14.09,-18.6,;15.43,-17.82,;15.42,-16.27,;16.78,-18.59,;18.11,-17.8,;19.46,-18.57,;20.8,-17.79,;22.15,-18.56,;23.48,-17.77,;24.83,-18.54,;24.84,-20.09,;26.17,-17.76,;27.52,-18.53,;28.85,-17.75,;30.2,-18.51,;31.54,-17.73,;32.9,-18.55,;34.22,-17.72,;34.15,-16.17,;35.62,-18.42,;36.92,-17.58,;38.31,-18.3,;39.61,-17.46,;41,-18.16,;42.26,-17.26,;43.51,-18.19,;43.03,-19.65,;44.57,-19.48,;43.5,-21.14,;42.25,-22.03,;42.23,-23.59,;41,-21.14,;41.48,-19.65,;39.92,-19.79,;6.07,-20.19,;5,-21.26,;6.07,-18.66,;7.39,-17.88,;4.74,-17.89,;4.72,-16.37,;3.4,-15.6,;2.07,-16.38,;3.39,-14.07,;2.11,-19.4,;.79,-20.16,;-.53,-19.38,;.77,-21.7,;2.09,-22.47,;3.42,-21.72,;3.42,-23.25,;4.74,-22.49,;4.74,-24.03,;3.4,-24.79,;2.09,-24,;3.4,-26.31,;4.72,-27.07,;4.72,-28.61,;3.37,-29.37,;2.04,-28.6,;2.07,-27.07,;6.07,-21.73,;7.39,-20.96,;7.39,-22.49,;8.16,-23.83,;9.49,-23.07,;6.3,-23.56,;6.3,-25.1,;7.63,-25.88,;4.96,-25.87,;3.44,-20.18,;4.19,-18.84,;4.94,-19.78,;-.56,-22.45,;-1.89,-21.67,;-1.86,-20.14,;-3.21,-22.42,;-3.23,-23.96,;-4.53,-21.63,;-4.53,-20.11,;-5.83,-19.33,;-7.19,-20.1,;-5.83,-17.81,;-4.49,-17.05,;-4.49,-15.52,;-5.82,-14.75,;-7.14,-15.51,;-7.16,-17.04,;-5.86,-22.4,;-5.86,-23.93,;-7.21,-24.69,;-8.53,-23.91,;-8.52,-22.37,;-7.19,-21.62,)|
Structure:
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