Reaction Details Report a problem with these data
Target
Mycothiol S-conjugate amidase
Ligand
BDBM50117080
Substrate
n/a
Meas. Tech.
ChEMBL_321414 (CHEMBL881945)
IC50
2720000±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:
BDBM50117080
Synonyms:
3-(3,5-Difluoro-phenyl)-N-[2-(4-fluoro-phenyldisulfanyl)-ethyl]-2-[(Z)-hydroxyimino]-propionamide | CHEMBL194921 | CHEMBL314490
Type:
Small organic molecule
Emp. Form.:
C17H15F3N2O2S2
Mol. Mass.:
400.438
SMILES:
Fc1ccc(SSCCNC(=O)C(Cc2cc(F)cc(F)c2)N=O)cc1
Structure:
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