2-[[2-[(2-Acetamido-3-methylpentanoyl)-methylamino]-3-phenylpropanoyl]amino]-4-methylpentanoic acid
| Internal ID | 4fe769a8-2fc9-46f1-8d17-a8df7b82da97 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Peptides |
| IUPAC Name | 2-[[2-[(2-acetamido-3-methylpentanoyl)-methylamino]-3-phenylpropanoyl]amino]-4-methylpentanoic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C24H37N3O5/c1-7-16(4)21(25-17(5)28)23(30)27(6)20(14-18-11-9-8-10-12-18)22(29)26-19(24(31)32)13-15(2)3/h8-12,15-16,19-21H,7,13-14H2,1-6H3,(H,25,28)(H,26,29)(H,31,32) |
| InChI Key | YBADDKHQARQTBB-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C24H37N3O5 |
| Molecular Weight | 447.60 g/mol |
| Exact Mass | 447.27332129 g/mol |
| Topological Polar Surface Area (TPSA) | 116.00 Ų |
| XlogP | 3.40 |
| There are no found synonyms. |
![2D Structure of 2-[[2-[(2-Acetamido-3-methylpentanoyl)-methylamino]-3-phenylpropanoyl]amino]-4-methylpentanoic acid](https://plantaedb.com/storage/docs/compounds/2023/11/2-2-2-acetamido-3-methylpentanoyl-methylamino-3-phenylpropanoylamino-4-methylpentanoic-acid.jpg "2D Structure of 2-[[2-[(2-Acetamido-3-methylpentanoyl)-methylamino]-3-phenylpropanoyl]amino]-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 | 99.85% | 98.95% |
| CHEMBL3837 | P07711 | Cathepsin L | 99.59% | 96.61% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 98.42% | 90.17% |
| CHEMBL4072 | P07858 | Cathepsin B | 95.30% | 93.67% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.16% | 96.09% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 94.11% | 93.56% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 91.75% | 99.17% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 90.98% | 90.20% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 90.62% | 94.73% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.56% | 95.56% |
| CHEMBL3308 | P55212 | Caspase-6 | 87.04% | 97.56% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 86.93% | 100.00% |
| CHEMBL268 | P43235 | Cathepsin K | 86.82% | 96.85% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 86.79% | 95.50% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 86.47% | 100.00% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 84.05% | 97.14% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 83.79% | 98.33% |
| CHEMBL5028 | O14672 | ADAM10 | 82.66% | 97.50% |
| CHEMBL2095164 | P49354 | Geranylgeranyl transferase type I | 81.68% | 92.80% |
| CHEMBL3004 | P33527 | Multidrug resistance-associated protein 1 | 81.38% | 96.37% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 81.18% | 93.00% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 80.87% | 100.00% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 80.61% | 96.00% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 80.04% | 91.19% |
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 | 163065651 |
| LOTUS | LTS0072347 |
| wikiData | Q104201527 |