Reaction Details Report a problem with these data
Target
HTH-type transcriptional regulator EthR
Ligand
BDBM50363016
Substrate
n/a
Meas. Tech.
ChEMBL_800731 (CHEMBL1947974)
EC50
2500±n/a nM
Citation
 Flipo, M; Desroses, M; Lecat-Guillet, N; Villemagne, B; Blondiaux, N; Leroux, F; Piveteau, C; Mathys, V; Flament, MP; Siepmann, J; Villeret, V; Wohlkönig, A; Wintjens, R; Soror, SH; Christophe, T; Jeon, HK; Locht, C; Brodin, P; Déprez, B; Baulard, AR; Willand, N Ethionamide boosters. 2. Combining bioisosteric replacement and structure-based drug design to solve pharmacokinetic issues in a series of potent 1,2,4-oxadiazole EthR inhibitors. J Med Chem 55:68-83 (2012) [PubMed]  Article 
Target
Name:
HTH-type transcriptional regulator EthR
Synonyms:
ETHR_MYCTU | HTH-type transcriptional regulator EthR | Transcriptional repressor EthR (EthR) | etaR | ethR
Type:
Protein
Mol. Mass.:
23751.94
Organism:
Mycobacterium tuberculosis
Description:
P9WMC1
Residue:
216
Sequence:
MTTSAASQASLPRGRRTARPSGDDRELAILATAENLLEDRPLADISVDDLAKGAGISRPTFYFYFPSKEAVLLTLLDRVVNQADMALQTLAENPADTDRENMWRTGINVFFETFGSHKAVTRAGQAARATSVEVAELWSTFMQKWIAYTAAVIDAERDRGAAPRTLPAHELATALNLMNERTLFASFAGEQPSVPEARVLDTLVHIWVTSIYGENR
  
Inhibitor
Name:
BDBM50363016
Synonyms:
CHEMBL1945811
Type:
Small organic molecule
Emp. Form.:
C14H15F3N4O2S
Mol. Mass.:
360.355
SMILES:
FC(F)(F)CCC(=O)N1CCC(CC1)c1nc(no1)-c1cncs1
Structure:
Search PDB for entries with ligand similarity: