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Target
Tubulin beta chain
Ligand
BDBM50274079
Substrate
n/a
Meas. Tech.
ChEMBL_1713861 (CHEMBL4123910)
IC50
6130±n/a nM
Citation
 Batran, RZ; Kassem, AF; Abbas, EMH; Elseginy, SA; Mounier, MM Design, synthesis and molecular modeling of new 4-phenylcoumarin derivatives as tubulin polymerization inhibitors targeting MCF-7 breast cancer cells. Bioorg Med Chem 26:3474-3490 (2018) [PubMed]  Article 
Target
Name:
Tubulin beta chain
Synonyms:
TBB5_HUMAN | TUBB | TUBB5 | TUBB5 | Tubulin beta chain | Tubulin beta-5 chain
Type:
PROTEIN
Mol. Mass.:
49650.12
Organism:
Homo sapiens
Description:
ChEMBL_117191
Residue:
444
Sequence:
MREIVHIQAGQCGNQIGAKFWEVISDEHGIDPTGTYHGDSDLQLDRISVYYNEATGGKYVPRAILVDLEPGTMDSVRSGPFGQIFRPDNFVFGQSGAGNNWAKGHYTEGAELVDSVLDVVRKEAESCDCLQGFQLTHSLGGGTGSGMGTLLISKIREEYPDRIMNTFSVVPSPKVSDTVVEPYNATLSVHQLVENTDETYCIDNEALYDICFRTLKLTTPTYGDLNHLVSATMSGVTTCLRFPGQLNADLRKLAVNMVPFPRLHFFMPGFAPLTSRGSQQYRALTVPELTQQVFDAKNMMAACDPRHGRYLTVAAVFRGRMSMKEVDEQMLNVQNKNSSYFVEWIPNNVKTAVCDIPPRGLKMAVTFIGNSTAIQELFKRISEQFTAMFRRKAFLHWYTGEGMDEMEFTEAESNMNDLVSEYQQYQDATAEEEEDFGEEAEEEA
  
Inhibitor
Name:
BDBM50274079
Synonyms:
CHEMBL4127437
Type:
Small organic molecule
Emp. Form.:
C29H26N2O8S
Mol. Mass.:
562.59
SMILES:
COc1cc(cc(OC)c1OC)C1SCC(=O)N1NC(=O)COc1ccc2c(cc(=O)oc2c1)-c1ccccc1
Structure:
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