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Target
Alpha-amylase
Ligand
BDBM50090176
Substrate
n/a
Meas. Tech.
ChEMBL_1497567 (CHEMBL3582950)
IC50
2600±n/a nM
Citation
 Nguyen, PQ; Luu, TT; Bai, Y; Nguyen, GK; Pervushin, K; Tam, JP Allotides: Proline-Rich Cystine Knota-Amylase Inhibitors from Allamanda cathartica. J Nat Prod 78:695-704 (2015) [PubMed]  Article 
Target
Name:
Alpha-amylase
Synonyms:
1,4-alpha-D-glucan glucanohydrolase | AMY_TENMO | Alpha-amylase
Type:
PROTEIN
Mol. Mass.:
51216.65
Organism:
Tenebrio molitor
Description:
ChEMBL_109806
Residue:
471
Sequence:
QKDANFASGRNSIVHLFEWKWNDIADECERFLQPQGFGGVQISPPNEYLVADGRPWWERYQPVSYIINTRSGDESAFTDMTRRCNDAGVRIYVDAVINHMTGMNGVGTSGSSADHDGMNYPAVPYGSGDFHSPCEVNNYQDADNVRNCELVGLRDLNQGSDYVRGVLIDYMNHMIDLGVAGFRVDAAKHMSPGDLSVIFSGLKNLNTDYGFADGARPFIYQEVIDLGGEAISKNEYTGFGCVLEFQFGVSLGNAFQGGNQLKNLANWGPEWGLLEGLDAVVFVDNHDNQRTGGSQILTYKNPKPYKMAIAFMLAHPYGTTRIMSSFDFTDNDQGPPQDGSGNLISPGINDDNTCSNGYVCEHRWRQVYGMVGFRNAVEGTQVENWWSNDDNQIAFSRGSQGFVAFTNGGDLNQNLNTGLPAGTYCDVISGELSGGSCTGKSVTVGDNGSADISLGSAEDDGVLAIHVNAKL
  
Inhibitor
Name:
BDBM50090176
Synonyms:
CHEMBL3581562
Type:
Small organic molecule
Emp. Form.:
C146H216N36O39S6
Mol. Mass.:
3291.885
SMILES:
[H][C@@]12CCCN1C(=O)[C@H](CC(O)=O)NC(=O)[C@]1([H])CSSC[C@H](N)C(=O)N[C@@]([H])([C@@H](C)CC)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc3cnc[nH]3)C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@]3([H])CSSC[C@]([H])(NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC2=O)C(=O)N[C@@]([H])([C@@H](C)O)C(=O)N2CCC[C@@]2([H])C(=O)N2CCC[C@@]2([H])C(=O)N[C@@]([H])([C@@H](C)CC)C(=O)N[C@@]([H])([C@@H](C)CC)C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CSSC[C@]([H])(NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@]([H])(NC(=O)[C@@]([H])(NC(=O)CNC(=O)[C@H](CC(O)=O)NC3=O)[C@@H](C)CC)[C@@H](C)CC)C(=O)N1)C(=O)N[C@@H](CC(C)C)C(O)=O |r|
Structure:
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