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Target
Mycothiol S-conjugate amidase
Ligand
BDBM50117081
Substrate
n/a
Meas. Tech.
ChEBML_140808
IC50
100000±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:
BDBM50117081
Synonyms:
(S)-7,9-Dibromo-8-methoxy-1-oxa-2-aza-spiro[4.5]deca-2,6,8-triene-3-carboxylic acid [2-(2-amino-3H-imidazol-4-yl)-ethyl]-amide | CHEMBL82521
Type:
Small organic molecule
Emp. Form.:
C15H17Br2N5O3
Mol. Mass.:
475.135
SMILES:
COC1=C(Br)C[C@@]2(CC(=NO2)C(=O)NCCc2cnc(N)[nH]2)C=C1Br |c:2,8,24|
Structure:
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