Reaction Details Report a problem with these data
Target
Beta-N-acetylhexosaminidase
Ligand
BDBM50182804
Substrate
n/a
Meas. Tech.
ChEMBL_344327 (CHEMBL868409)
Ki
80000±n/a nM
Citation
 Greimel, P; Häusler, H; Lundt, I; Rupitz, K; Stütz, AE; Tarling, CA; Withers, SG; Wrodnigg, TM Fluorescent glycosidase inhibiting 1,5-dideoxy-1,5-iminoalditols. Bioorg Med Chem Lett 16:2067-70 (2006) [PubMed]  Article 
Target
Name:
Beta-N-acetylhexosaminidase
Synonyms:
Putative beta-hexosaminidase
Type:
PROTEIN
Mol. Mass.:
58636.71
Organism:
Streptomyces coelicolor
Description:
ChEMBL_344327
Residue:
539
Sequence:
MDLPRPELALVPRPRRLSARSGRFRLDRTTRLRVTPGAGPAAVLLRTLLAPATGLPLDSAADGAFVLALDPALTGLGDEGYGLTVSPQGVLLRAARPAGLLRGVQTVRQLLPYEALSGQPVRGVPWELPAVEITDVPRHAWRGSMLDVARHFQPVSYLQRYVDLLALHKLNVFHLHLTDDQGWRMPVAAHPRLTEVGGRRAESMVGPAGSDRFDGVPHGGSYTRAELRGLVAYAAERGVSVLPETGVPGHVRAALAAYPELGTDPARRLDVWTHWGVCENVLGTGENVLDFFRTVLDEVMDVFPSPYVHIGGDEVPTTEWELSPAARARAAREGLAGPRALHPWFIARLAEHLVRAGRRPVVWAESGVALPLDCTVMSWRDPAHARAAALRGHQVVHADHRATYFDYPRGAGPGEPPAQPGVVVDLRAVHEVDLAPPTPQAASRVLGAQGQLWTEFVRTPEHIEYLTFPRLCALAERVWDGTSGWRDFTARLAGHRARLDALDVPHAAPPPGPPVSFPHTPHHPSTLPLGRESYRKDPA
  
Inhibitor
Name:
BDBM50182804
Synonyms:
2-ACETAMIDO-1,2-DIDEOXYNOJIRMYCIN | CHEMBL382689 | Iminocyclitol, 5 | N-((3S,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)piperidin-3-yl)acetamide | N-[4,5-dihydroxy-6-(hydroxymethyl)piperidin-3-yl]acetamide, 1
Type:
Small organic molecule
Emp. Form.:
C8H16N2O4
Mol. Mass.:
204.2236
SMILES:
CC(=O)N[C@H]1CN[C@H](CO)[C@@H](O)[C@@H]1O
Structure:
Search PDB for entries with ligand similarity: