Target
Mycothiol S-conjugate amidase
Ligand
BDBM50117078
Substrate
n/a
Meas. Tech.
ChEMBL_321414 (CHEMBL881945)
IC50
35000±n/a nM
Citation
 Nicolaou, KC Joys of molecules. 2. Endeavors in chemical biology and medicinal chemistry. J Med Chem 48:5613-38 (2005) [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:
BDBM50117078
Synonyms:
CHEMBL197081 | CHEMBL312123 | N-[2-(4-Amino-phenyldisulfanyl)-ethyl]-3-(3-chloro-4-hydroxy-phenyl)-2-[(Z)-hydroxyimino]-propionamide
Type:
Small organic molecule
Emp. Form.:
C17H18ClN3O3S2
Mol. Mass.:
411.926
SMILES:
Nc1ccc(SSCCNC(=O)C(Cc2ccc(O)c(Cl)c2)N=O)cc1
Structure:
Search PDB for entries with ligand similarity: