Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetMycothiol S-conjugate amidase
LigandBDBM50117084
Substrate/Competitorn/a
Meas. Tech.ChEBML_140808
IC50 2000±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:
BDBM50117084
n/a
NameBDBM50117084
Synonyms:(5R,10S)-7,9-Dibromo-10-hydroxy-8-methoxy-1-oxa-2-aza-spiro[4.5]deca-2,6,8-triene-3-carboxylic acid {2-[2-amino-5-(3,5,8-trihydroxy-4-oxo-1,4-dihydro-quinolin-6-yl)-3H-imidazol-4-yl]-ethyl}-amide | CHEMBL82170
TypeSmall organic molecule
Emp. Form.C24H22Br2N6O8
Mol. Mass.682.275
SMILESCOC1=C(Br)[C@@H](O)[C@@]2(CC(=NO2)C(=O)NCCc2[nH]c(N)nc2-c2cc(O)c3ncc(O)c(O)c3c2O)C=C1Br |c:2,9,41|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: