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Poly-beta-1,6-N-acetyl-D-glucosamine N-deacetylase
Ligand
BDBM50466406
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] ArticleMore Info.:
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:
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:
