Target
HTH-type transcriptional regulator EthR
Ligand
BDBM50363017
Substrate
n/a
Meas. Tech.
ChEMBL_800730 (CHEMBL1947973)
IC50
1000±n/a nM
Citation
 Flipo, MDesroses, MLecat-Guillet, NVillemagne, BBlondiaux, NLeroux, FPiveteau, CMathys, VFlament, MPSiepmann, JVilleret, VWohlkönig, AWintjens, RSoror, SHChristophe, TJeon, HKLocht, CBrodin, PDéprez, BBaulard, ARWilland, 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:
BDBM50363017
Synonyms:
CHEMBL1945812
Type:
Small organic molecule
Emp. Form.:
C19H19F3N4O3S
Mol. Mass.:
440.439
SMILES:
COc1ccc2nc(sc2c1)-c1noc(n1)C1CCN(CC1)C(=O)CCC(F)(F)F
Structure:
Search PDB for entries with ligand similarity: