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Target
Probable alpha-glucosidase Os06g0675700
Ligand
BDBM50341333
Substrate
n/a
Meas. Tech.
ChEMBL_742386 (CHEMBL1768944)
IC50
>100000±n/a nM
Citation
 Díaz, L; Casas, J; Bujons, J; Llebaria, A; Delgado, A New glucocerebrosidase inhibitors by exploration of chemical diversity of N-substituted aminocyclitols using click chemistry and in situ screening. J Med Chem 54:2069-79 (2011) [PubMed]  Article 
Target
Name:
Probable alpha-glucosidase Os06g0675700
Synonyms:
AGLU_ORYSJ
Type:
PROTEIN
Mol. Mass.:
96348.92
Organism:
Oryza sativa subsp. japonica
Description:
ChEMBL_796387
Residue:
885
Sequence:
MMGSPPAPPARRLGALAVFLLALFLAAPWGVDCGYNVASVAGSKNRLRARLELAGGGGGAAPELGPDVRRLSLTASLETDSRLHVRITDADHPRWEVPQDVIPRPSPDSFLAATRPGGGRVLSTATSDLTFAIHTSPFRFTVTRRSTGDVLFDTTPNLVFKDRYLELTSSLPPPGRASLYGLGEQTKRTFRLQRNDTFTLWNSDIAAGNVDLNLYGSHPFYMDVRSGGGGGGGAAHGVLLLNSNGMDVIYGGSYVTYKVIGGVLDFYFFAGPSPLAVVDQYTQLIGRPAPMPYWSFGFHQCRYGYKNVADLEGVVAGYAKARIPLEVMWTDIDYMDAYKDFTLDPVNFPADRMRPFVDRLHRNGQKFVVIIDPGINVNTTYGTFVRGMKQDIFLKWNGSNYLGVVWPGNVYFPDFLNPRAAEFWAREIAAFRRTLPVDGLWVDMNEISNFVDPPPLNAIDDPPYRINNSGVRRPINNKTVPASAVHYGGVAEYDAHNLFGFLEARATHDALLRDTGRRPFVLSRSTFVGSGRYTAHWTGDNAATWEDLHYSINTMLSFGLFGIPMIGADICGFGGNTTEELCSRWIQLGAFYPFSRDHSAIGTVRRELYLWESVARSARKALGLRYRLLPYLYTLMYEAHTTGAPIARPLFFSYPGDVETYGIDRQFLLGRGVLVSPVLEPGATTVTAYFPAGRWFSLYDFSLAVATKTGKRVTLPAPADTVNVHVAGGNILTLQQPALTSSRVRQSVVHLLVALADDGTATGDLFLDDGESPEMAGPRSRWSQIKFSGATESGGGVVRVRSHVVHDSYAPSRTMAIGKVVLMGLRSAAPPKGFAVYANGVQVNASTAVGGAAGSPEKGALGVAHVSGLTLVVGQEFDLKVVMTY
  
Inhibitor
Name:
BDBM50341333
Synonyms:
CHEMBL1766470 | rel-(1R,2S,4R,5S)-6-[[1-(3,3-Diphenylpropyl)-1H-1,2,3-triazol-4-yl]methylamino]cyclohexane-1,2,3,4,5-pentaol
Type:
Small organic molecule
Emp. Form.:
C24H30N4O5
Mol. Mass.:
454.5188
SMILES:
O[C@H]1[C@H](O)[C@@H](O)[C@H](NCc2cn(CCC(c3ccccc3)c3ccccc3)nn2)[C@@H](O)[C@@H]1O |r|
Structure:
Search PDB for entries with ligand similarity: