2-Amino-5-[(1-carboxy-2-cyanoethyl)amino]-5-oxopentanoic acid
| Internal ID | b16c5418-b39a-43d0-9646-2f9d8230ca09 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Peptides > Dipeptides |
| IUPAC Name | 2-amino-5-[(1-carboxy-2-cyanoethyl)amino]-5-oxopentanoic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C9H13N3O5/c10-4-3-6(9(16)17)12-7(13)2-1-5(11)8(14)15/h5-6H,1-3,11H2,(H,12,13)(H,14,15)(H,16,17) |
| InChI Key | QUAADUAOVLZBJM-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C9H13N3O5 |
| Molecular Weight | 243.22 g/mol |
| Exact Mass | 243.08552052 g/mol |
| Topological Polar Surface Area (TPSA) | 154.00 Ų |
| XlogP | -4.40 |
| There are no found synonyms. |
![2D Structure of 2-Amino-5-[(1-carboxy-2-cyanoethyl)amino]-5-oxopentanoic acid](https://plantaedb.com/storage/docs/compounds/2023/11/2-amino-5-1-carboxy-2-cyanoethylamino-5-oxopentanoic-acid.jpg "2D Structure of 2-Amino-5-[(1-carboxy-2-cyanoethyl)amino]-5-oxopentanoic 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 | 95.20% | 90.17% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 95.11% | 99.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.55% | 98.95% |
| CHEMBL3976 | Q9UHL4 | Dipeptidyl peptidase II | 91.81% | 92.29% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.60% | 96.09% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 90.51% | 96.95% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 90.29% | 97.21% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 89.85% | 90.20% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 89.67% | 91.11% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 88.16% | 95.17% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 85.49% | 83.82% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 85.40% | 95.93% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 85.28% | 100.00% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 83.96% | 89.63% |
| CHEMBL236 | P41143 | Delta opioid receptor | 82.51% | 99.35% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 82.30% | 90.71% |
| CHEMBL233 | P35372 | Mu opioid receptor | 82.19% | 97.93% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 82.16% | 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 | 440768 |
| LOTUS | LTS0121785 |
| wikiData | Q105228016 |