Acetyl-leucyl-valyl-argininal
| Internal ID | dd9b6356-df47-4256-965c-f32ba027dbc2 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Peptides > Dipeptides |
| IUPAC Name | 2-acetamido-N-[1-[[5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-4-methylpentanamide |
| SMILES (Canonical) | CC(C)CC(C(=O)NC(C(C)C)C(=O)NC(CCCN=C(N)N)C=O)NC(=O)C |
| SMILES (Isomeric) | CC(C)CC(C(=O)NC(C(C)C)C(=O)NC(CCCN=C(N)N)C=O)NC(=O)C |
| InChI | InChI=1S/C19H36N6O4/c1-11(2)9-15(23-13(5)27)17(28)25-16(12(3)4)18(29)24-14(10-26)7-6-8-22-19(20)21/h10-12,14-16H,6-9H2,1-5H3,(H,23,27)(H,24,29)(H,25,28)(H4,20,21,22) |
| InChI Key | SEQYPUIPGIGBNQ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C19H36N6O4 |
| Molecular Weight | 412.50 g/mol |
| Exact Mass | 412.27980365 g/mol |
| Topological Polar Surface Area (TPSA) | 169.00 Ų |
| XlogP | -0.60 |
| 2-acetamido-N-[1-[[5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-4-methylpentanamide |
| 2-acetamido-N-(1-((5-(diaminomethylideneamino)-1-oxopentan-2-yl)amino)-3-methyl-1-oxobutan-2-yl)-4-methylpentanamide |
| RefChem:109087 |
| CHEBI:209945 |
| 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 |
|---|---|---|---|---|
| CHEMBL3837 | P07711 | Cathepsin L | 99.97% | 96.61% |
| CHEMBL4072 | P07858 | Cathepsin B | 99.83% | 93.67% |
| CHEMBL2581 | P07339 | Cathepsin D | 98.30% | 98.95% |
| CHEMBL4801 | P29466 | Caspase-1 | 96.48% | 96.85% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 96.40% | 93.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.09% | 96.09% |
| CHEMBL2094135 | Q96BI3 | Gamma-secretase | 93.37% | 98.05% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 92.78% | 100.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 92.69% | 99.17% |
| CHEMBL1801 | P00747 | Plasminogen | 92.64% | 92.44% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.42% | 94.45% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.38% | 91.11% |
| CHEMBL3776 | Q14790 | Caspase-8 | 91.03% | 97.06% |
| CHEMBL3830 | Q2M2I8 | Adaptor-associated kinase | 90.93% | 83.10% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 90.34% | 96.00% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 90.29% | 96.47% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 90.27% | 90.71% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 89.49% | 90.24% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 88.32% | 100.00% |
| CHEMBL268 | P43235 | Cathepsin K | 88.25% | 96.85% |
| CHEMBL3308 | P55212 | Caspase-6 | 87.91% | 97.56% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 87.53% | 98.33% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 86.92% | 95.71% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 86.43% | 95.38% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 86.07% | 100.00% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 85.93% | 89.50% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 85.06% | 97.29% |
| CHEMBL3891 | P07384 | Calpain 1 | 83.14% | 93.04% |
| CHEMBL3286 | P00749 | Urokinase-type plasminogen activator | 82.81% | 97.88% |
| CHEMBL3976 | Q9UHL4 | Dipeptidyl peptidase II | 81.36% | 92.29% |
| CHEMBL5028 | O14672 | ADAM10 | 81.30% | 97.50% |
| CHEMBL2885 | P07451 | Carbonic anhydrase III | 80.68% | 87.45% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 80.51% | 94.33% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 80.41% | 93.00% |
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| PubChem | 44267534 |
| LOTUS | LTS0095557 |
| wikiData | Q77519338 |