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Target
Peptidoglycan-N-acetylglucosamine deacetylase
Ligand
BDBM50466403
Substrate
n/a
Meas. Tech.
ChEMBL_1793109 (CHEMBL4265028)
Ki
580000±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:
BDBM50466403
Synonyms:
CHEMBL4292978
Type:
Small organic molecule
Emp. Form.:
C15H23NNaO7P
Mol. Mass.:
383.3092
SMILES:
[Na;v0+].[#6]-[#8]-[#6@@H]-1-[#8]-[#6@H](-[#6]-[#8]-[#6]-c2ccccc2)-[#6@@H](-[#8])-[#6@H](-[#8])-[#6@H]-1-[#7]P([#6])([#8-])=O |r|
Structure:
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