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Target
Alpha-amylase 1A
Ligand
BDBM50161650
Substrate
n/a
Meas. Tech.
ChEMBL_1516310 (CHEMBL3618750)
IC50
4000000±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:
BDBM50161650
Synonyms:
4-(1,3-BENZODIOXOL-5-YL)-5-(5-ETHYL-2,4-DIHYDROXYPHENYL)-2H-PYRAZOLE-3-CARBOXYLIC ACID | 4-(benzo[d][1,3]dioxol-5-yl)-3-(5-ethyl-2,4-dihydroxyphenyl)-1H-pyrazole-5-carboxylic acid | 4-Benzo[1,3]dioxol-5-yl-5-(5-ethyl-2,4-dihydroxy-phenyl)-2H-pyrazole-3-carboxylic acid | CHEMBL178130
Type:
Small organic molecule
Emp. Form.:
C19H16N2O6
Mol. Mass.:
368.3401
SMILES:
CCc1cc(-c2n[nH]c(C(O)=O)c2-c2ccc3OCOc3c2)c(O)cc1O
Structure:
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