Reaction Details Report a problem with these data
Target
Cytosolic beta-glucosidase
Ligand
BDBM50153476
Substrate
n/a
Meas. Tech.
ChEMBL_305521 (CHEMBL827658)
IC50
<1000000±n/a nM
Citation
 Ogawa, S; Funayama, S; Okazaki, K; Ishizuka, F; Sakata, Y; Doi, F Synthesis of 5a-carba-hexopyranoses and hexopyranosylamines, as well as 5a,5a'-dicarbadisaccharides, from 3,8-dioxatricyclo[4.2.1.0(2,4)]nonan-9-ol: glycosidase inhibitory activity of N-substituted 5a-carba-beta-gluco- and beta-galactopyranosylamines, and derivatives thereof. Bioorg Med Chem Lett 14:5183-8 (2004) [PubMed]  Article 
Target
Name:
Cytosolic beta-glucosidase
Synonyms:
Beta-glucosidase cytosolic | CBG | CBGL1 | GBA3 | GBA3_HUMAN
Type:
PROTEIN
Mol. Mass.:
53687.94
Organism:
Homo sapiens (Human)
Description:
ChEMBL_820008
Residue:
469
Sequence:
MAFPAGFGWAAATAAYQVEGGWDADGKGPCVWDTFTHQGGERVFKNQTGDVACGSYTLWEEDLKCIKQLGLTHYRFSLSWSRLLPDGTTGFINQKGIDYYNKIIDDLLKNGVTPIVTLYHFDLPQTLEDQGGWLSEAIIESFDKYAQFCFSTFGDRVKQWITINEANVLSVMSYDLGMFPPGIPHFGTGGYQAAHNLIKAHARSWHSYDSLFRKKQKGMVSLSLFAVWLEPADPNSVSDQEAAKRAITFHLDLFAKPIFIDGDYPEVVKSQIASMSQKQGYPSSRLPEFTEEEKKMIKGTADFFAVQYYTTRLIKYQENKKGELGILQDAEIEFFPDPSWKNVDWIYVVPWGVCKLLKYIKDTYNNPVIYITENGFPQSDPAPLDDTQRWEYFRQTFQELFKAIQLDKVNLQVYCAWSLLDNFEWNQGYSSRFGLFHVDFEDPARPRVPYTSAKEYAKIIRNNGLEAHL
  
Inhibitor
Name:
BDBM50153476
Synonyms:
4-((3R,8S)-4-Hydroxy-3-methoxy-6-oxa-bicyclo[3.2.1]oct-8-ylamino)-6-hydroxymethyl-cyclohexane-1,2,3-triol | CHEMBL361974
Type:
Small organic molecule
Emp. Form.:
C15H27NO7
Mol. Mass.:
333.3774
SMILES:
CO[C@@H]1CC2COC([C@H]2NC2CC(CO)C(O)C(O)C2O)C1O |TLB:1:2:8:6.5,9:8:21.2.3:6.5,THB:22:21:8:6.5|
Structure:
Search PDB for entries with ligand similarity: