Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D0HO1O
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| Former ID |
DIB018550
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| Drug Name |
2ewy
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| Synonyms |
2ewy; N-{(1s,2r)-1-Benzyl-2-Hydroxy-3-[(3-Methylbenzyl)amino]propyl}dibenzo[b,F]oxepine-10-Carboxamide; GTPL8688; DBO; hydroxyethylamine transition-state inhibitor 1; N-[(2S,3R)-3-hydroxy-4-[(3-methylphenyl)methylamino]-1-phenylbutan-2-yl]benzo[b][1]benzoxepine-6-carboxamide
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| Drug Type |
Small molecular drug
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| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
| Structure |
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Download2D MOL
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| Formula |
C33H32N2O3
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| Canonical SMILES |
CC1=CC(=CC=C1)CNCC(C(CC2=CC=CC=C2)NC(=O)C3=CC4=CC=CC=C4OC5=CC=CC=C53)O
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| InChI |
1S/C33H32N2O3/c1-23-10-9-13-25(18-23)21-34-22-30(36)29(19-24-11-3-2-4-12-24)35-33(37)28-20-26-14-5-7-16-31(26)38-32-17-8-6-15-27(28)32/h2-18,20,29-30,34,36H,19,21-22H2,1H3,(H,35,37)/t29-,30+/m0/s1
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| InChIKey |
BNWZCXDHHPBQOX-XZWHSSHBSA-N
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| PubChem Compound ID | ||||
| PubChem Substance ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Beta-site APP-cleaving enzyme 2 (BACE2) | Target Info | Inhibitor | [2] |
| References | Top | |||
|---|---|---|---|---|
| REF 1 | URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 8688). | |||
| REF 2 | Crystal structure of human BACE2 in complex with a hydroxyethylamine transition-state inhibitor. J Mol Biol. 2006 Jan 13;355(2):249-61. | |||
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