2-[(2-Amino-3-methylbutanoyl)amino]-2-(4-hydroxy-1-azabicyclo[3.1.0]hexan-2-yl)acetic acid
| Internal ID | 82f4bba6-a5d1-4370-99c6-df91c9059c8a |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Peptides |
| IUPAC Name | 2-[(2-amino-3-methylbutanoyl)amino]-2-(4-hydroxy-1-azabicyclo[3.1.0]hexan-2-yl)acetic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C12H21N3O4/c1-5(2)9(13)11(17)14-10(12(18)19)6-3-8(16)7-4-15(6)7/h5-10,16H,3-4,13H2,1-2H3,(H,14,17)(H,18,19) |
| InChI Key | OWRDBHAORITUMQ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C12H21N3O4 |
| Molecular Weight | 271.31 g/mol |
| Exact Mass | 271.15320616 g/mol |
| Topological Polar Surface Area (TPSA) | 116.00 Ų |
| XlogP | -3.20 |
| There are no found synonyms. |
![2D Structure of 2-[(2-Amino-3-methylbutanoyl)amino]-2-(4-hydroxy-1-azabicyclo[3.1.0]hexan-2-yl)acetic acid](https://plantaedb.com/storage/docs/compounds/2023/11/2-2-amino-3-methylbutanoylamino-2-4-hydroxy-1-azabicyclo310hexan-2-ylacetic-acid.jpg "2D Structure of 2-[(2-Amino-3-methylbutanoyl)amino]-2-(4-hydroxy-1-azabicyclo[3.1.0]hexan-2-yl)acetic 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 |
|---|---|---|---|---|
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 99.98% | 83.82% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.24% | 96.09% |
| CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 96.99% | 95.58% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.54% | 98.95% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 91.73% | 93.56% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 88.35% | 90.17% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 88.30% | 91.19% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.26% | 94.45% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 87.85% | 89.50% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 86.99% | 96.47% |
| CHEMBL274 | P51681 | C-C chemokine receptor type 5 | 85.90% | 98.77% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 84.64% | 90.71% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 84.60% | 93.00% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 82.60% | 98.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 82.48% | 95.56% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 82.27% | 97.09% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 81.81% | 100.00% |
| CHEMBL4394 | Q9NYA1 | Sphingosine kinase 1 | 81.74% | 96.03% |
| CHEMBL5028 | O14672 | ADAM10 | 80.84% | 97.50% |
| CHEMBL3976 | Q9UHL4 | Dipeptidyl peptidase II | 80.80% | 92.29% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 80.68% | 91.11% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
To see more specific details click the taxa you are interested in.
To see more specific details click the taxa you are interested in.
| There are no matching plants. |
| PubChem | 162874582 |
| LOTUS | LTS0122995 |
| wikiData | Q104193890 |