Reaction Details Report a problem with these data
Target
Alpha-glucosidase MAL32
Ligand
BDBM225289
Substrate
n/a
Meas. Tech.
In Vitro α-Glucosidase Inhibitory Assay
pH
6.8±0
Temperature
310.15±0 K
IC50
5.98e+3± 1.1e+2 nM
Citation
 Wang, G; Wang, J; Xie, Z; Chen, M; Li, L; Peng, Y; Chen, S; Li, W; Deng, B Discovery of 3,3-di(indolyl)indolin-2-one as a novel scaffold for a-glucosidase inhibitors: In silico studies and SAR predictions Bioorg Chem 72:228-233 (2017)   
Target
Name:
Alpha-glucosidase MAL32
Synonyms:
Alpha-glucosidase MAL32 | MAL32 | MAL32_YEAST | MAL3S | Maltase | alpha-Glucosidase (α-Glucosidase) | alpha-Glucosidase (alpha-Glu) | alpha-Glucosidase (α-Glucosidase)
Type:
Hydrolase
Mol. Mass.:
68132.36
Organism:
Saccharomyces cerevisiae
Description:
Purchased from Wako Fine Chemicals Co. Ltd.
Residue:
584
Sequence:
MTISDHPETEPKWWKEATIYQIYPASFKDSNNDGWGDLKGITSKLQYIKDLGVDAIWVCPFYDSPQQDMGYDISNYEKVWPTYGTNEDCFELIDKTHKLGMKFITDLVINHCSTEHEWFKESRSSKTNPKRDWFFWRPPKGYDAEGKPIPPNNWKSFFGGSAWTFDETTNEFYLRLFASRQVDLNWENEDCRRAIFESAVGFWLDHGVDGFRIDTAGLYSKRPGLPDSPIFDKTSKLQHPNWGSHNGPRIHEYHQELHRFMKNRVKDGREIMTVGEVAHGSDNALYTSAARYEVSEVFSFTHVELGTSPFFRYNIVPFTLKQWKEAIASNFLFINGTDSWATTYIENHDQARSITRFADDSPKYRKISGKLLTLLECSLTGTLYVYQGQEIGQINFKEWPIEKYEDVDVKNNYEIIKKSFGKNSKEMKDFFKGIALLSRDHSRTPMPWTKDKPNAGFTGPDVKPWFFLNESFEQGINVEQESRDDDSVLNFWKRALQARKKYKELMIYGYDFQFIDLDSDQIFSFTKEYEDKTLFAALNFSGEEIEFSLPREGASLSFILGNYDDTDVSSRVLKPWEGRIYLVK
  
Inhibitor
Name:
BDBM225289
Synonyms:
1,1''-bis(2-Fluorobenzyl)-[3,3':3',3''-terindolin]-2'-one (4j)
Type:
Small organic molecule
Emp. Form.:
C38H27F2N3O
Mol. Mass.:
579.6373
SMILES:
Fc1ccccc1Cn1cc(c2ccccc12)C1(C(=O)Nc2ccccc12)c1cn(Cc2ccccc2F)c2ccccc12
Structure:
Search PDB for entries with ligand similarity: