Reaction Details  Report a problem with these data
Target
DNA-binding transcriptional activator DevR/DosR
Ligand
BDBM50480868
Substrate
n/a
Meas. Tech.
ChEMBL_591902 (CHEMBL1050035)
IC50
<125000±n/a nM
Citation
 Gupta, RK; Thakur, TS; Desiraju, GR; Tyagi, JS Structure-based design of DevR inhibitor active against nonreplicating Mycobacterium tuberculosis. J Med Chem 52:6324-34 (2009) [PubMed]  Article
Target
Name:
DNA-binding transcriptional activator DevR/DosR
Synonyms:
DEVR_MYCTU | DNA-binding transcriptional activator DevR/DosR | devR | dosR
Type:
PROTEIN
Mol. Mass.:
23292.23
Organism:
Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)
Description:
ChEMBL_102872
Residue:
217
Sequence:
MVKVFLVDDHEVVRRGLVDLLGADPELDVVGEAGSVAEAMARVPAARPDVAVLDVRLPDGNGIELCRDLLSRMPDLRCLILTSYTSDEAMLDAILAGASGYVVKDIKGMELARAVKDVGAGRSLLDNRAAAALMAKLRGAAEKQDPLSGLTDQERTLLGLLSEGLTNKQIADRMFLAEKTVKNYVSRLLAKLGMERRTQAAVFATELKRSRPPGDGP
  
Inhibitor
Name:
BDBM50480868
Synonyms:
CHEMBL571500
Type:
Small organic molecule
Emp. Form.:
C30H21ClN2O5
Mol. Mass.:
524.951
SMILES:
COc1cc(NC(=O)c2ccc(cc2)-c2cc3ccccc3oc2=O)ccc1NC(=O)c1ccccc1Cl
Structure:
Search PDB for entries with ligand similarity: