Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetMycothiol S-conjugate amidase
LigandBDBM50117079
Substrate/Competitorn/a
Meas. Tech.ChEBML_140808
IC50 37000±n/a nM
Citation Nicholas, GMEckman, LLRay, SHughes, ROPfefferkorn, JABarluenga, SNicolaou, KCBewley, CA Bromotyrosine-derived natural and synthetic products as inhibitors of mycothiol-S-conjugate amidase. Bioorg Med Chem Lett12:2487-90 (2002) [PubMed]
More Info.:Get all data from this article,  Assay Method
 
Mycothiol S-conjugate amidase
Name:Mycothiol S-conjugate amidase
Synonyms:MCA_MYCTU | mca
Type:PROTEIN
Mol. Mass.:32719.79
Organism:Mycobacterium tuberculosis
Description:ChEMBL_626858
Residue:288
Sequence:
MSELRLMAVHAHPDDESSKGAATLARYADEGHRVLVVTLTGGERGEILNPAMDLPDVHGR
IAEIRRDEMTKAAEILGVEHTWLGFVDSGLPKGDLPPPLPDDCFARVPLEVSTEALVRVV
REFRPHVMTTYDENGGYPHPDHIRCHQVSVAAYEAAGDFCRFPDAGEPWTVSKLYYVHGF
LRERMQMLQDEFARHGQRGPFEQWLAYWDPDHDFLTSRVTTRVECSKYFSQRDDALRAHA
TQIDPNAEFFAAPLAWQERLWPTEEFELARSRIPARPPETELFAGIEP
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50117079
n/a
NameBDBM50117079
Synonyms:3-(3-Chloro-4-hydroxy-phenyl)-N-[2-(4-fluoro-phenyldisulfanyl)-ethyl]-2-[(Z)-hydroxyimino]-propionamide | CHEMBL81695
TypeSmall organic molecule
Emp. Form.C17H16ClFN2O3S2
Mol. Mass.414.902
SMILESOc1ccc(CC(N=O)C(=O)NCCSSc2ccc(F)cc2)cc1Cl
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: