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Target
Alpha-amylase 1A
Ligand
BDBM50120853
Substrate
n/a
Meas. Tech.
ChEMBL_1516320 (CHEMBL3618912)
Ki
190±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:
BDBM50120853
Synonyms:
CHEMBL3618492
Type:
Small organic molecule
Emp. Form.:
C27H43N3O18S
Mol. Mass.:
729.705
SMILES:
[H][C@]1(O[C@H]2[C@H](O)[C@@H](O)[C@@H](OC[C@H]3OC4(NC(=S)NC4=O)[C@H](O)[C@@H](O)[C@@H]3O)O[C@@H]2CO)O[C@H](C)[C@@H](N[C@H]2C=C(CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O |r,t:39|
Structure:
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