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Target
Mycothiol S-conjugate amidase
Ligand
BDBM50117089
Substrate
n/a
Meas. Tech.
ChEBML_140808
IC50
36000±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:
BDBM50117089
Synonyms:
CHEMBL204484 | CHEMBL83995 | N-[2-(2-Amino-3H-imidazol-4-yl)-ethyl]-3-[4-(3-amino-propoxy)-3,5-dibromo-phenyl]-2-[(E)-hydroxyimino]-propionamide
Type:
Small organic molecule
Emp. Form.:
C17H22Br2N6O3
Mol. Mass.:
518.203
SMILES:
NCCCOc1c(Br)cc(CC(N=O)C(=O)NCCc2cnc(N)[nH]2)cc1Br
Structure:
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