Target
Alpha-amylase 1A
Ligand
BDBM50120837
Substrate
n/a
Meas. Tech.
ChEMBL_1516310 (CHEMBL3618750)
IC50
700000±n/a nM
Citation
 Al-Asri, JFazekas, ELehoczki, GPerdih, AGörick, CMelzig, MFGyémánt, GWolber, GMortier, 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:
BDBM50120837
Synonyms:
CHEMBL3618484
Type:
Small organic molecule
Emp. Form.:
C16H17N3O3S
Mol. Mass.:
331.389
SMILES:
CC(=O)N1CCN(CC1)C1=NC(=O)\C(S1)=C/c1ccccc1O |t:10|
Structure:
Search PDB for entries with ligand similarity: