Reaction Details Report a problem with these data
Target
Pancreatic alpha-amylase
Ligand
BDBM163648
Substrate
n/a
Meas. Tech.
Kinetic Studies
Temperature
303.15±0 K
Ki
21.3±2.2 nM
Citation
 Williams, LK; Zhang, X; Caner, S; Tysoe, C; Nguyen, NT; Wicki, J; Williams, DE; Coleman, J; McNeill, JH; Yuen, V; Andersen, RJ; Withers, SG; Brayer, GD The amylase inhibitor montbretin A reveals a new glycosidase inhibition motif. Nat Chem Biol 11:691-6 (2015) [PubMed]  Article 
Target
Name:
Pancreatic alpha-amylase
Synonyms:
1,4-alpha-D-glucan glucanohydrolase | AMY2A | AMYP_HUMAN | PA | Pancreatic α-amylase (HPA) | Pancreatic alpha-amylase | Pancreatic alpha-amylase (HPA)
Type:
Protein
Mol. Mass.:
57709.71
Organism:
Homo sapiens (Human)
Description:
n/a
Residue:
511
Sequence:
MKFFLLLFTIGFCWAQYSPNTQQGRTSIVHLFEWRWVDIALECERYLAPKGFGGVQVSPPNENVAIYNPFRPWWERYQPVSYKLCTRSGNEDEFRNMVTRCNNVGVRIYVDAVINHMCGNAVSAGTSSTCGSYFNPGSRDFPAVPYSGWDFNDGKCKTGSGDIENYNDATQVRDCRLTGLLDLALEKDYVRSKIAEYMNHLIDIGVAGFRLDASKHMWPGDIKAILDKLHNLNSNWFPAGSKPFIYQEVIDLGGEPIKSSDYFGNGRVTEFKYGAKLGTVIRKWNGEKMSYLKNWGEGWGFVPSDRALVFVDNHDNQRGHGAGGASILTFWDARLYKMAVGFMLAHPYGFTRVMSSYRWPRQFQNGNDVNDWVGPPNNNGVIKEVTINPDTTCGNDWVCEHRWRQIRNMVIFRNVVDGQPFTNWYDNGSNQVAFGRGNRGFIVFNNDDWSFSLTLQTGLPAGTYCDVISGDKINGNCTGIKIYVSDDGKAHFSISNSAEDPFIAIHAESKL
  
Inhibitor
Name:
BDBM163648
Synonyms:
MbA-R (2)
Type:
Small organic molecule
Emp. Form.:
C47H54O29
Mol. Mass.:
1082.9143
SMILES:
C[C@@H]1O[C@@H](Oc2c(oc3cc(O)cc(O)c3c2=O)-c2cc(O)c(O[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)c(O)c2)[C@H](O[C@@H]2O[C@H](COC(=O)\C=C\c3ccc(O)c(O)c3)[C@@H](O)[C@H](O)[C@H]2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O
Structure:
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