2-[[2-[(2-Hydroxy-3-methylbutanoyl)amino]-3-methylbutanoyl]-methylamino]-4-methylpentanoic acid
| Internal ID | d217e492-7d5f-49e2-abde-a48c6663478d |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Alpha amino acids and derivatives > Leucine and derivatives |
| IUPAC Name | 2-[[2-[(2-hydroxy-3-methylbutanoyl)amino]-3-methylbutanoyl]-methylamino]-4-methylpentanoic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C17H32N2O5/c1-9(2)8-12(17(23)24)19(7)16(22)13(10(3)4)18-15(21)14(20)11(5)6/h9-14,20H,8H2,1-7H3,(H,18,21)(H,23,24) |
| InChI Key | UKOYQMONAWKXIF-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C17H32N2O5 |
| Molecular Weight | 344.40 g/mol |
| Exact Mass | 344.23112213 g/mol |
| Topological Polar Surface Area (TPSA) | 107.00 Ų |
| XlogP | 2.50 |
| There are no found synonyms. |
![2D Structure of 2-[[2-[(2-Hydroxy-3-methylbutanoyl)amino]-3-methylbutanoyl]-methylamino]-4-methylpentanoic acid](https://plantaedb.com/storage/docs/compounds/2023/11/2-2-2-hydroxy-3-methylbutanoylamino-3-methylbutanoyl-methylamino-4-methylpentanoic-acid.jpg "2D Structure of 2-[[2-[(2-Hydroxy-3-methylbutanoyl)amino]-3-methylbutanoyl]-methylamino]-4-methylpentanoic acid")
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| No predicted properties yet! | |||
Proven Targets:
| CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
|---|---|---|---|---|---|
| No proven targets yet! | |||||
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 98.36% | 98.95% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 98.22% | 83.82% |
| CHEMBL4072 | P07858 | Cathepsin B | 97.36% | 93.67% |
| CHEMBL3837 | P07711 | Cathepsin L | 96.14% | 96.61% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.44% | 96.09% |
| CHEMBL268 | P43235 | Cathepsin K | 91.75% | 96.85% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 91.08% | 93.56% |
| CHEMBL3308 | P55212 | Caspase-6 | 89.41% | 97.56% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 89.17% | 90.17% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 87.08% | 99.17% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 86.71% | 100.00% |
| CHEMBL332 | P03956 | Matrix metalloproteinase-1 | 86.49% | 94.50% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 85.32% | 96.47% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 85.16% | 85.14% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 84.80% | 100.00% |
| CHEMBL3776 | Q14790 | Caspase-8 | 84.41% | 97.06% |
| CHEMBL4618 | P09960 | Leukotriene A4 hydrolase | 84.05% | 97.86% |
| CHEMBL1944495 | P28065 | Proteasome subunit beta type-9 | 82.94% | 97.50% |
| CHEMBL2094135 | Q96BI3 | Gamma-secretase | 81.98% | 98.05% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 81.47% | 96.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 80.36% | 90.71% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 12442973 |
| LOTUS | LTS0126432 |
| wikiData | Q105274762 |