2-[[4-Amino-2-(2-aminopropanoylamino)-4-oxobutanoyl]amino]-5-phosphonopent-3-enoic acid
| Internal ID | 37da106f-72c6-45bf-9d73-d16b1edb87f0 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Peptides |
| IUPAC Name | 2-[[4-amino-2-(2-aminopropanoylamino)-4-oxobutanoyl]amino]-5-phosphonopent-3-enoic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C12H21N4O8P/c1-6(13)10(18)16-8(5-9(14)17)11(19)15-7(12(20)21)3-2-4-25(22,23)24/h2-3,6-8H,4-5,13H2,1H3,(H2,14,17)(H,15,19)(H,16,18)(H,20,21)(H2,22,23,24) |
| InChI Key | DDLKXVROBQHLLI-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C12H21N4O8P |
| Molecular Weight | 380.29 g/mol |
| Exact Mass | 380.10970064 g/mol |
| Topological Polar Surface Area (TPSA) | 222.00 Ų |
| XlogP | -6.70 |
| There are no found synonyms. |
![2D Structure of 2-[[4-Amino-2-(2-aminopropanoylamino)-4-oxobutanoyl]amino]-5-phosphonopent-3-enoic acid](https://plantaedb.com/storage/docs/compounds/2023/11/2-4-amino-2-2-aminopropanoylamino-4-oxobutanoylamino-5-phosphonopent-3-enoic-acid.jpg "2D Structure of 2-[[4-Amino-2-(2-aminopropanoylamino)-4-oxobutanoyl]amino]-5-phosphonopent-3-enoic 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 |
|---|---|---|---|---|
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 97.85% | 90.17% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 97.04% | 83.82% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.05% | 96.09% |
| CHEMBL3286 | P00749 | Urokinase-type plasminogen activator | 93.19% | 97.88% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.03% | 98.95% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 90.91% | 100.00% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 90.74% | 93.56% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 90.64% | 99.17% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 89.36% | 90.20% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 87.83% | 89.34% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 87.54% | 93.00% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 87.23% | 97.29% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 86.63% | 100.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 85.77% | 94.45% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 85.75% | 96.95% |
| CHEMBL3230 | O95977 | Sphingosine 1-phosphate receptor Edg-6 | 85.32% | 94.01% |
| CHEMBL3776 | Q14790 | Caspase-8 | 85.25% | 97.06% |
| CHEMBL236 | P41143 | Delta opioid receptor | 85.17% | 99.35% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 84.86% | 89.50% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 84.79% | 96.47% |
| CHEMBL3976 | Q9UHL4 | Dipeptidyl peptidase II | 82.52% | 92.29% |
| CHEMBL3663 | P62993 | Growth factor receptor-bound protein 2 | 82.39% | 90.00% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 82.25% | 94.33% |
| CHEMBL3308 | P55212 | Caspase-6 | 82.21% | 97.56% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 80.85% | 95.71% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 80.47% | 91.19% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 80.39% | 96.00% |
| CHEMBL5285 | Q99683 | Mitogen-activated protein kinase kinase kinase 5 | 80.16% | 92.26% |
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 | 162984 |
| LOTUS | LTS0054626 |
| wikiData | Q104976521 |