Reaction Details Report a problem with these data
Target
Peptidoglycan-N-acetylglucosamine deacetylase
Ligand
BDBM50466398
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:
BDBM50466398
Synonyms:
CHEMBL4279006
Type:
Small organic molecule
Emp. Form.:
C22H29O8P
Mol. Mass.:
452.4346
SMILES:
COP(O)(=O)C[C@@H]1[C@@H](O)[C@H](OCc2ccccc2)[C@@H](CO)O[C@H]1OCc1ccccc1 |r|
Structure:
Search PDB for entries with ligand similarity: