(2R)-2-[[(2S)-2-amino-3-[[(E)-4-amino-4-oxobut-2-enoyl]amino]propanoyl]amino]propanoic acid
| Internal ID | 9e1cdbf8-9ead-46d6-b870-c8f141980755 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Peptides |
| IUPAC Name | (2R)-2-[[(2S)-2-amino-3-[[(E)-4-amino-4-oxobut-2-enoyl]amino]propanoyl]amino]propanoic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C10H16N4O5/c1-5(10(18)19)14-9(17)6(11)4-13-8(16)3-2-7(12)15/h2-3,5-6H,4,11H2,1H3,(H2,12,15)(H,13,16)(H,14,17)(H,18,19)/b3-2+/t5-,6+/m1/s1 |
| InChI Key | XMSWOFBDXIPAAF-QQTLEDFYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C10H16N4O5 |
| Molecular Weight | 272.26 g/mol |
| Exact Mass | 272.11206962 g/mol |
| Topological Polar Surface Area (TPSA) | 165.00 Ų |
| XlogP | -5.20 |
| There are no found synonyms. |
![2D Structure of (2R)-2-[[(2S)-2-amino-3-[[(E)-4-amino-4-oxobut-2-enoyl]amino]propanoyl]amino]propanoic acid](https://plantaedb.com/storage/docs/compounds/2023/11/2r-2-2s-2-amino-3-e-4-amino-4-oxobut-2-enoylaminopropanoylaminopropanoic-acid.jpg "2D Structure of (2R)-2-[[(2S)-2-amino-3-[[(E)-4-amino-4-oxobut-2-enoyl]amino]propanoyl]amino]propanoic 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 | 98.96% | 83.82% |
| CHEMBL3976 | Q9UHL4 | Dipeptidyl peptidase II | 96.77% | 92.29% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.73% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.91% | 96.09% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 95.06% | 97.21% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 95.05% | 96.95% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 92.96% | 90.17% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 90.94% | 100.00% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 89.87% | 93.56% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 84.85% | 89.50% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 84.10% | 100.00% |
| CHEMBL3308 | P55212 | Caspase-6 | 83.62% | 97.56% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 83.54% | 96.00% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 83.06% | 90.20% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 82.35% | 99.17% |
| CHEMBL236 | P41143 | Delta opioid receptor | 82.08% | 99.35% |
| CHEMBL4005 | P42336 | PI3-kinase p110-alpha subunit | 81.88% | 97.47% |
| CHEMBL1907594 | P30926 | Neuronal acetylcholine receptor; alpha3/beta4 | 81.55% | 97.23% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 81.52% | 94.33% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 81.16% | 96.47% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 80.99% | 91.11% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 80.90% | 97.29% |
| CHEMBL4816 | Q9Y243 | Serine/threonine-protein kinase AKT3 | 80.62% | 96.28% |
| CHEMBL1907588 | P02708 | Acetylcholine receptor; alpha1/beta1/delta/gamma | 80.38% | 98.33% |
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 | 163016980 |
| LOTUS | LTS0231492 |
| wikiData | Q105331412 |