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Target
Peptidoglycan-N-acetylglucosamine deacetylase
Ligand
BDBM50466406
Substrate
n/a
Meas. Tech.
ChEMBL_1793107 (CHEMBL4265026)
IC50
>5000000±n/a nM
Citation
 DiFrancesco, BR; Morrison, ZA; Nitz, M Monosaccharide inhibitors targeting carbohydrate esterase family 4 de-N-acetylases. Bioorg Med Chem 26:5631-5643 (2018) [PubMed]  Article 
Target
Name:
Peptidoglycan-N-acetylglucosamine deacetylase
Synonyms:
PGDA_STRR6 | Peptidoglycan de-N-acetylase (PgdA) | pgdA
Type:
Protein
Mol. Mass.:
52665.99
Organism:
Streptococcus pneumoniae (Firmicutes)
Description:
Q8DP63
Residue:
463
Sequence:
MNKSRLGRGRHGKTRHVLLALIGILAISICLLGGFIAFKIYQQKSFEQKIESLKKEKDDQLSEGNQKEHFRQGQAEVIAYYPLQGEKVISSVRELINQDVKDKLESKDNLVFYYTEQEESGLKGVVNRNVTKQIYDLVAFKIEETEKTSLGKVHLTEDGQPFTLDQLFSDASKAKEQLIKELTSFIEDKKIEQDQSEQIVKNFSDQDLSAWNFDYKDSQIILYPSPVVENLEEIALPVSAFFDVIQSSYLLEKDAALYQSYFDKKHQKVVALTFDDGPNPATTPQVLETLAKYDIKATFFVLGKNVSGNEDLVKRIKSEGHVVGNHSWSHPILSQLSLDEAKKQITDTEDVLTKVLGSSSKLMRPPYGAITDDIRNSLDLSFIMWDVDSLDWKSKNEASILTEIQHQVANGSIVLMHDIHSPTVNALPRVIEYLKNQGYTFVTIPEMLNTRLKAHELYYSRDE
  
Inhibitor
Name:
BDBM50466406
Synonyms:
CHEMBL4283218
Type:
Small organic molecule
Emp. Form.:
C15H20N4O5
Mol. Mass.:
336.3431
SMILES:
CC(=O)N[C@H]1[C@H](OCc2ccccc2)O[C@H](CO)[C@@H](O)[C@@H]1N=[N+]=[N-] |r|
Structure:
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