Reaction Details Report a problem with these data
Target
Mycothiol S-conjugate amidase
Ligand
BDBM50117083
Substrate
n/a
Meas. Tech.
ChEBML_140808
IC50
90000±n/a nM
Citation
 Nicholas, GM; Eckman, LL; Ray, S; Hughes, RO; Pfefferkorn, JA; Barluenga, S; Nicolaou, KC; Bewley, CA Bromotyrosine-derived natural and synthetic products as inhibitors of mycothiol-S-conjugate amidase. Bioorg Med Chem Lett 12:2487-90 (2002) [PubMed]  Article 
Target
Name:
Mycothiol S-conjugate amidase
Synonyms:
MCA_MYCTU | mca
Type:
PROTEIN
Mol. Mass.:
32719.79
Organism:
Mycobacterium tuberculosis
Description:
ChEMBL_626858
Residue:
288
Sequence:
MSELRLMAVHAHPDDESSKGAATLARYADEGHRVLVVTLTGGERGEILNPAMDLPDVHGRIAEIRRDEMTKAAEILGVEHTWLGFVDSGLPKGDLPPPLPDDCFARVPLEVSTEALVRVVREFRPHVMTTYDENGGYPHPDHIRCHQVSVAAYEAAGDFCRFPDAGEPWTVSKLYYVHGFLRERMQMLQDEFARHGQRGPFEQWLAYWDPDHDFLTSRVTTRVECSKYFSQRDDALRAHATQIDPNAEFFAAPLAWQERLWPTEEFELARSRIPARPPETELFAGIEP
  
Inhibitor
Name:
BDBM50117083
Synonyms:
3-(3-Bromo-phenyl)-N-[2-(4-fluoro-phenyldisulfanyl)-ethyl]-2-[(Z)-hydroxyimino]-propionamide | CHEMBL311210 | CHEMBL371412
Type:
Small organic molecule
Emp. Form.:
C17H16BrFN2O2S2
Mol. Mass.:
443.354
SMILES:
Fc1ccc(SSCCNC(=O)C(Cc2cccc(Br)c2)N=O)cc1
Structure:
Search PDB for entries with ligand similarity: