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Target
Mycothiol S-conjugate amidase
Ligand
BDBM50117084
Substrate
n/a
Meas. Tech.
ChEBML_140808
IC50
2000±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:
BDBM50117084
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
Type:
Small organic molecule
Emp. Form.:
C24H22Br2N6O8
Mol. Mass.:
682.275
SMILES:
COC1=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:
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