Reaction Details Report a problem with these data
Target
Alpha-amylase 1A
Ligand
BDBM50120824
Substrate
n/a
Meas. Tech.
ChEMBL_1516310 (CHEMBL3618750)
IC50
300000±n/a nM
Citation
 Al-Asri, J; Fazekas, E; Lehoczki, G; Perdih, A; Görick, C; Melzig, MF; Gyémánt, G; Wolber, G; Mortier, J From carbohydrates to drug-like fragments: Rational development of novela-amylase inhibitors. Bioorg Med Chem 23:6725-32 (2015) [PubMed]  Article 
Target
Name:
Alpha-amylase 1A
Synonyms:
1,4-alpha-D-glucan glucanohydrolase 1 | AMY1 | AMY1A | AMY1A_HUMAN | Alpha-amylase | Salivary alpha-amylase
Type:
Glycosidase
Mol. Mass.:
57770.18
Organism:
Homo sapiens (Human)
Description:
Purchased from Sigma Chemical Co.
Residue:
511
Sequence:
MKLFWLLFTIGFCWAQYSSNTQQGRTSIVHLFEWRWVDIALECERYLAPKGFGGVQVSPPNENVAIHNPFRPWWERYQPVSYKLCTRSGNEDEFRNMVTRCNNVGVRIYVDAVINHMCGNAVSAGTSSTCGSYFNPGSRDFPAVPYSGWDFNDGKCKTGSGDIENYNDATQVRDCRLSGLLDLALGKDYVRSKIAEYMNHLIDIGVAGFRIDASKHMWPGDIKAILDKLHNLNSNWFPEGSKPFIYQEVIDLGGEPIKSSDYFGNGRVTEFKYGAKLGTVIRKWNGEKMSYLKNWGEGWGFMPSDRALVFVDNHDNQRGHGAGGASILTFWDARLYKMAVGFMLAHPYGFTRVMSSYRWPRYFENGKDVNDWVGPPNDNGVTKEVTINPDTTCGNDWVCEHRWRQIRNMVNFRNVVDGQPFTNWYDNGSNQVAFGRGNRGFIVFNNDDWTFSLTLQTGLPAGTYCDVISGDKINGNCTGIKIYVSDDGKAHFSISNSAEDPFIAIHAESKL
  
Inhibitor
Name:
BDBM50120824
Synonyms:
CHEMBL3618478
Type:
Small organic molecule
Emp. Form.:
C21H25N3O8
Mol. Mass.:
447.4385
SMILES:
COc1cccc(C2NC(C([N+]([O-])=O)C(C)(C)C2[N+]([O-])=O)c2cccc(OC)c2O)c1O
Structure:
Search PDB for entries with ligand similarity: