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Target
Alpha-amylase 1A
Ligand
BDBM50120849
Substrate
n/a
Meas. Tech.
ChEMBL_1516317 (CHEMBL3618757)
Ki
700±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:
BDBM50120849
Synonyms:
CHEMBL3618490
Type:
Small organic molecule
Emp. Form.:
C38H64N2O25
Mol. Mass.:
948.9132
SMILES:
CC1OC(OC2C(CO)OC(OC3C(O)C(O)C(NC4C(C)OC(OC5C(CO)OC(O)C(O)C5O)C(O)C4O)C=C3CO)C(O)C2O)C(O)C(O)C1NC1C=C(CO)C(O)C(O)C1O |c:42,t:60|
Structure:
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