Reaction Details
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Poly-beta-1,6-N-acetyl-D-glucosamine N-deacetylase
Ligand
BDBM50466407
Substrate
n/a
Meas. Tech.
ChEMBL_1793106 (CHEMBL4265025)
IC50
>10000000±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 More 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:
BDBM50466407
Synonyms:
CHEMBL4290008
Type:
Small organic molecule
Emp. Form.:
C15H21NO5S
Mol. Mass.:
327.396
SMILES:
CC(=S)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1OCc1ccccc1 |r|
Structure:
