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Target
Mycothiol S-conjugate amidase
Ligand
BDBM50134315
Substrate
n/a
Meas. Tech.
ChEMBL_626858 (CHEMBL1110815)
IC50
50000±n/a nM
Citation
 Watts, KR; Ratnam, J; Ang, KH; Tenney, K; Compton, JE; McKerrow, J; Crews, P Assessing the trypanocidal potential of natural and semi-synthetic diketopiperazines from two deep water marine-derived fungi. Bioorg Med Chem 18:2566-74 (2010) [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:
BDBM50134315
Synonyms:
7-hydroxy-11-hydroxymethyl-12-methyl-14,15-dithia-9,12-diazatetracyclo[9.2.2.01,9.03,8]pentadeca-3,5-diene-10,13-dione | CHEMBL331627 | GLIOTOXIN
Type:
Small organic molecule
Emp. Form.:
C13H14N2O4S2
Mol. Mass.:
326.391
SMILES:
CN1C(=O)[C@]23CC4=CC=C[C@H](O)[C@H]4N2C(=O)[C@@]1(CO)SS3 |r,c:8,t:6,THB:12:13:1.2:19.20,15:14:1.2:19.20|
Structure:
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