Reaction Details Report a problem with these data
Target
Mycothiol S-conjugate amidase
Ligand
BDBM50117085
Substrate
n/a
Meas. Tech.
ChEBML_140808
IC50
450000±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:
BDBM50117085
Synonyms:
CHEMBL81748 | N-[2-(4-Amino-phenyldisulfanyl)-ethyl]-3-(3,5-difluoro-phenyl)-2-[(Z)-hydroxyimino]-propionamide
Type:
Small organic molecule
Emp. Form.:
C17H17F2N3O2S2
Mol. Mass.:
397.463
SMILES:
Nc1ccc(SSCCNC(=O)C(Cc2cc(F)cc(F)c2)N=O)cc1
Structure:
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