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Target
Beta-glucosidase
Ligand
BDBM50371432
Substrate
n/a
Meas. Tech.
ChEMBL_463485 (CHEMBL932780)
Ki
1000000±n/a nM
Citation
 Steiner, AJ; Stütz, AE; Wrodnigg, TM; Tarling, CA; Withers, SG; Hermetter, A; Schmidinger, H Glycosidase profiling with immobilised glycosidase-inhibiting iminoalditols--a proof-of-concept study. Bioorg Med Chem Lett 18:1922-5 (2008) [PubMed]  Article 
Target
Name:
Beta-glucosidase
Synonyms:
Amygdalase | BGLS_AGRSA | Beta-D-glucoside glucohydrolase | Cellobiase | Gentiobiase | abg
Type:
PROTEIN
Mol. Mass.:
51157.56
Organism:
Agrobacterium sp. ATCC 21400
Description:
ChEMBL_463485
Residue:
459
Sequence:
MTDPNTLAARFPGDFLFGVATASFQIEGSTKADGRKPSIWDAFCNMPGHVFGRHNGDIACDHYNRWEEDLDLIKEMGVEAYRFSLAWPRIIPDGFGPINEKGLDFYDRLVDGCKARGIKTYATLYHWDLPLTLMGDGGWASRSTAHAFQRYAKTVMARLGDRLDAVATFNEPWCAVWLSHLYGVHAPGERNMEAALAAMHHINLAHGFGVEASRHVAPKVPVGLVLNAHSAIPASDGEADLKAAERAFQFHNGAFFDPVFKGEYPAEMMEALGDRMPVVEAEDLGIISQKLDWWGLNYYTPMRVADDATPGVEFPATMPAPAVSDVKTDIGWEVYAPALHTLVETLYERYDLPECYITENGACYNMGVENGQVNDQPRLDYYAEHLGIVADLIRDGYPMRGYFAWSLMDNFEWAEGYRMRFGLVHVDYQTQVRTVKNSGKWYSALASGFPKGNHGVAKG
  
Inhibitor
Name:
BDBM50371432
Synonyms:
CHEMBL271053
Type:
Small organic molecule
Emp. Form.:
C31H48N4O9S
Mol. Mass.:
652.799
SMILES:
COC(=O)CCCCCNC(=O)[C@H](CCCCN1C[C@@H](O)[C@@H](O)[C@H](O)[C@H]1CO)NS(=O)(=O)c1cccc2c(cccc12)N(C)C
Structure:
Search PDB for entries with ligand similarity: