(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-[(1R)-3-chloro-4-oxocyclohex-2-en-1-yl]propanoic acid
| Internal ID | 09592a37-300a-4495-99d6-3eb15f56698c |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Peptides > Dipeptides |
| IUPAC Name | (2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-[(1R)-3-chloro-4-oxocyclohex-2-en-1-yl]propanoic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C12H17ClN2O4/c1-6(14)11(17)15-9(12(18)19)5-7-2-3-10(16)8(13)4-7/h4,6-7,9H,2-3,5,14H2,1H3,(H,15,17)(H,18,19)/t6-,7-,9-/m0/s1 |
| InChI Key | IHGHMCQJNXVBNO-ZKWXMUAHSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C12H17ClN2O4 |
| Molecular Weight | 288.73 g/mol |
| Exact Mass | 288.0876847 g/mol |
| Topological Polar Surface Area (TPSA) | 109.00 Ų |
| XlogP | -2.00 |
| There are no found synonyms. |
![2D Structure of (2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-[(1R)-3-chloro-4-oxocyclohex-2-en-1-yl]propanoic acid](https://plantaedb.com/storage/docs/compounds/2023/11/2s-2-2s-2-aminopropanoylamino-3-1r-3-chloro-4-oxocyclohex-2-en-1-ylpropanoic-acid.jpg "2D Structure of (2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-[(1R)-3-chloro-4-oxocyclohex-2-en-1-yl]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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 96.11% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.63% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.53% | 91.11% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 95.15% | 90.17% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 94.00% | 83.82% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.77% | 94.45% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 90.72% | 93.56% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.93% | 95.56% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 87.82% | 98.33% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 87.13% | 95.93% |
| CHEMBL1907594 | P30926 | Neuronal acetylcholine receptor; alpha3/beta4 | 86.13% | 97.23% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 84.12% | 99.17% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 83.52% | 90.71% |
| CHEMBL5028 | O14672 | ADAM10 | 81.80% | 97.50% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 81.54% | 91.19% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 80.33% | 96.47% |
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.
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| There are no matching plants. |
| PubChem | 10356795 |
| LOTUS | LTS0083522 |
| wikiData | Q105113028 |