2-Amino-5-[(1-carboxy-2-ethenylsulfanylethyl)amino]-5-oxopentanoic acid
Internal ID | 5e723c4d-db64-4125-8760-18a3ea4cb400 |
Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Peptides > Dipeptides |
IUPAC Name | 2-amino-5-[(1-carboxy-2-ethenylsulfanylethyl)amino]-5-oxopentanoic acid |
SMILES (Canonical) | C=CSCC(C(=O)O)NC(=O)CCC(C(=O)O)N |
SMILES (Isomeric) | C=CSCC(C(=O)O)NC(=O)CCC(C(=O)O)N |
InChI | InChI=1S/C10H16N2O5S/c1-2-18-5-7(10(16)17)12-8(13)4-3-6(11)9(14)15/h2,6-7H,1,3-5,11H2,(H,12,13)(H,14,15)(H,16,17) |
InChI Key | XTUVFFIBYCLWPH-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C10H16N2O5S |
Molecular Weight | 276.31 g/mol |
Exact Mass | 276.07799279 g/mol |
Topological Polar Surface Area (TPSA) | 155.00 Ų |
XlogP | -3.00 |
There are no found synonyms. |
![2D Structure of 2-Amino-5-[(1-carboxy-2-ethenylsulfanylethyl)amino]-5-oxopentanoic acid 2D Structure of 2-Amino-5-[(1-carboxy-2-ethenylsulfanylethyl)amino]-5-oxopentanoic acid](https://plantaedb.com/storage/docs/compounds/2023/11/2-amino-5-1-carboxy-2-ethenylsulfanylethylamino-5-oxopentanoic-acid.jpg)
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 |
---|---|---|---|---|
CHEMBL4040 | P28482 | MAP kinase ERK2 | 99.70% | 83.82% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 96.07% | 99.17% |
CHEMBL3976 | Q9UHL4 | Dipeptidyl peptidase II | 95.57% | 92.29% |
CHEMBL233 | P35372 | Mu opioid receptor | 95.04% | 97.93% |
CHEMBL2581 | P07339 | Cathepsin D | 91.50% | 98.95% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 90.86% | 91.11% |
CHEMBL236 | P41143 | Delta opioid receptor | 90.39% | 99.35% |
CHEMBL340 | P08684 | Cytochrome P450 3A4 | 88.77% | 91.19% |
CHEMBL1255126 | O15151 | Protein Mdm4 | 86.63% | 90.20% |
CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 86.29% | 100.00% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 86.29% | 96.09% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 83.72% | 94.45% |
CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 83.35% | 90.71% |
CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 83.12% | 89.50% |
CHEMBL221 | P23219 | Cyclooxygenase-1 | 82.33% | 90.17% |
CHEMBL226 | P30542 | Adenosine A1 receptor | 82.07% | 95.93% |
CHEMBL2001 | Q9H244 | Purinergic receptor P2Y12 | 80.98% | 96.00% |
CHEMBL4246 | P42680 | Tyrosine-protein kinase TEC | 80.88% | 82.05% |
CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 80.75% | 96.95% |
CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 80.75% | 93.00% |
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.
Vicia narbonensis |
PubChem | 162985053 |
LOTUS | LTS0204183 |
wikiData | Q105341946 |