Reaction Details Report a problem with these data
Target
Similar to alpha-tubulin isoform 1/Tubulin beta-2B chain
Ligand
BDBM50062531
Substrate
n/a
Meas. Tech.
ChEMBL_1462872 (CHEMBL3399784)
IC50
8100±n/a nM
Citation
 Suman, P; Murthy, TR; Rajkumar, K; Srikanth, D; Dayakar, Ch; Kishor, C; Addlagatta, A; Kalivendi, SV; Raju, BC Synthesis and structure-activity relationships of pyridinyl-1H-1,2,3-triazolyldihydroisoxazoles as potent inhibitors of tubulin polymerization. Eur J Med Chem 90:603-19 (2015) [PubMed]  Article 
Target
Name:
Similar to alpha-tubulin isoform 1/Tubulin beta-2B chain
Synonyms:
Tubulin
Type:
n/a
Mol. Mass.:
n/a
Description:
ASSAY_ID of ChEMBL is 1443869
Components:
This complex has 3 components.
Component 1
Name:
Similar to alpha-tubulin isoform 1
Synonyms:
Similar to alpha-tubulin isoform 1
Type:
PROTEIN
Mol. Mass.:
10383.05
Organism:
Bos taurus
Description:
ChEMBL_104716
Residue:
99
Sequence:
CVSASPSTLARLVSRSAMPAGSSTAWNTAFSPMARCQVTKTIGGGDDSFNTFFSETGAGKHVPRAVFVDLEPTVIDEVRTGTYRSSSTLSSSSQAKKMP
  
Component 2
Name:
Similar to alpha-tubulin isoform 1
Synonyms:
Tubulin
Type:
PROTEIN
Mol. Mass.:
9422.48
Organism:
Bos taurus
Description:
EBI_18002
Residue:
84
Sequence:
PSPQVSTAVVEPYNSILTTKHLEHSDCFMVDNEAIYDICRRNLDIERPTTRNLNRLMSQIVSSITASLRFDGALTVDLTDVQTS
  
Component 3
Name:
Tubulin beta-2B chain
Synonyms:
TBB2B_BOVIN | TUBB2B | Tubulin | Tubulin beta chain
Type:
PROTEIN
Mol. Mass.:
49932.38
Organism:
Bos taurus
Description:
ChEMBL_211651
Residue:
445
Sequence:
MREIVHIQAGQCGNQIGAKFWEVISDEHGIDPTGSYHGDSDLQLERINVYYNEATGNKYVPRAILVDLEPGTMDSVRSGPFGQIFRPDNFVFGQSGAGNNWAKGHYTEGAELVDSVLDVVRKESESCDCLQGFQLTHSLGGGTGSGMGTLLISKIREEYPDRIMNTFSVMPSPKVSDTVVEPYNATLSVHQLVENTDETYCIDNEALYDICFRTLKLTTPTYGDLNHLVSATMSGVTTCLRFPGQLNADLRKLAVNMVPFPRLHFFMPGFAPLTSRGSQQYRALTVPELTQQMFDSKNMMAACDPRHGRYLTVAAIFRGRMSMKEVDEQMLNVQNKNSSYFVEWIPNNVKTAVCDIPPRGLKMSATFIGNSTAIQELFKRISEQFTAMFRRKAFLHWYTGEGMDEMEFTEAESNMNDLVSEYQQYQDATADEQGEFEEEEGEDEA
  
Inhibitor
Name:
BDBM50062531
Synonyms:
CHEMBL3397585
Type:
Small organic molecule
Emp. Form.:
C29H30ClN5O5
Mol. Mass.:
564.032
SMILES:
COc1cc(cc(OC)c1OC)C1=NOC(COCc2cn(Cc3cc(cnc3Cl)-c3ccc(C)cc3)nn2)C1 |t:13|
Structure:
Search PDB for entries with ligand similarity: