| Reaction Details |
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 | Report a problem with these data |
| Target | Alpha-amylase |
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| Ligand | BDBM50090176 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_1497567 (CHEMBL3582950) |
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| IC50 | 2600±n/a nM |
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| 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 Prod78:695-704 (2015) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| Alpha-amylase |
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| Name: | Alpha-amylase |
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| Synonyms: | 1,4-alpha-D-glucan glucanohydrolase | AMY_TENMO | Alpha-amylase |
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| Type: | PROTEIN |
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| Mol. Mass.: | 51216.65 |
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| Organism: | Tenebrio molitor |
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| Description: | ChEMBL_109806 |
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| Residue: | 471 |
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| Sequence: | QKDANFASGRNSIVHLFEWKWNDIADECERFLQPQGFGGVQISPPNEYLVADGRPWWERY
QPVSYIINTRSGDESAFTDMTRRCNDAGVRIYVDAVINHMTGMNGVGTSGSSADHDGMNY
PAVPYGSGDFHSPCEVNNYQDADNVRNCELVGLRDLNQGSDYVRGVLIDYMNHMIDLGVA
GFRVDAAKHMSPGDLSVIFSGLKNLNTDYGFADGARPFIYQEVIDLGGEAISKNEYTGFG
CVLEFQFGVSLGNAFQGGNQLKNLANWGPEWGLLEGLDAVVFVDNHDNQRTGGSQILTYK
NPKPYKMAIAFMLAHPYGTTRIMSSFDFTDNDQGPPQDGSGNLISPGINDDNTCSNGYVC
EHRWRQVYGMVGFRNAVEGTQVENWWSNDDNQIAFSRGSQGFVAFTNGGDLNQNLNTGLP
AGTYCDVISGELSGGSCTGKSVTVGDNGSADISLGSAEDDGVLAIHVNAKL
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| BDBM50090176 |
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| n/a |
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| Name | BDBM50090176 |
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| Synonyms: | CHEMBL3581562 |
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| Type | Small organic molecule |
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| Emp. Form. | C146H216N36O39S6 |
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| Mol. Mass. | 3291.885 |
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| 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| |
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| Structure | 
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