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Target
Poly-beta-1,6-N-acetyl-D-glucosamine N-deacetylase
Ligand
BDBM50466401
Substrate
n/a
Meas. Tech.
ChEMBL_1793106 (CHEMBL4265025)
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:
Poly-beta-1,6-N-acetyl-D-glucosamine N-deacetylase
Synonyms:
PGAB_ECOLI | PNAG de-N-acetylase (PgaB) | pgaB | ycdR
Type:
Protein
Mol. Mass.:
77407.78
Organism:
Escherichia coli (Enterobacteria)
Description:
P75906
Residue:
672
Sequence:
MLRNGNKYLLMLVSIIMLTACISQSRTSFIPPQDRESLLAEQPWPHNGFVAISWHNVEDEAADQRFMSVRTSALREQFAWLRENGYQPVSIAQIREAHRGGKPLPEKAVVLTFDDGYQSFYTRVFPILQAFQWPAVWAPVGSWVDTPADKQVKFGDELVDREYFATWQQVREVARSRLVELASHTWNSHYGIQANATGSLLPVYVNRAYFTDHARYETAAEYRERIRLDAVKMTEYLRTKVEVNPHVFVWPYGEANGIAIEELKKLGYDMFFTLESGLANASQLDSIPRVLIANNPSLKEFAQQIITVQEKSPQRIMHIDLDYVYDENLQQMDRNIDVLIQRVKDMQISTVYLQAFADPDGDGLVKEVWFPNRLLPMKADIFSRVAWQLRTRSGVNIYAWMPVLSWDLDPTLTRVKYLPTGEKKAQIHPEQYHRLSPFDDRVRAQVGMLYEDLAGHAAFDGILFHDDALLSDYEDASAPAITAYQQAGFSGSLSEIRQNPEQFKQWARFKSRALTDFTLELSARVKAIRGPHIKTARNIFALPVIQPESEAWFAQNYADFLKSYDWTAIMAMPYLEGVAEKSADQWLIQLTNQIKNIPQAKDKSILELQAQNWQKNGQHQAISSQQLAHWMSLLQLNGVKNYGYYPDNFLHNQPEIDLIRPEFSTAWYPKND
  
Inhibitor
Name:
BDBM50466401
Synonyms:
CHEMBL4284398
Type:
Small organic molecule
Emp. Form.:
C21H27NO7S
Mol. Mass.:
437.507
SMILES:
NS(=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: