Reaction Details Report a problem with these data
Target
HTH-type transcriptional regulator EthR
Ligand
BDBM50395183
Substrate
n/a
Meas. Tech.
ChEMBL_859797 (CHEMBL2169625)
EC50
2200±n/a nM
Citation
 Flipo, M; Willand, N; Lecat-Guillet, N; Hounsou, C; Desroses, M; Leroux, F; Lens, Z; Villeret, V; Wohlkönig, A; Wintjens, R; Christophe, T; Kyoung Jeon, H; Locht, C; Brodin, P; Baulard, AR; Déprez, B Discovery of novel N-phenylphenoxyacetamide derivatives as EthR inhibitors and ethionamide boosters by combining high-throughput screening and synthesis. J Med Chem 55:6391-402 (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:
BDBM50395183
Synonyms:
CHEMBL2163969
Type:
Small organic molecule
Emp. Form.:
C18H15FN2O2
Mol. Mass.:
310.3223
SMILES:
Cc1ccc2cc(NC(=O)COc3ccccc3F)ccc2n1
Structure:
Search PDB for entries with ligand similarity: