5-[[1-[(2-Amino-2-oxoethyl)amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-2-azaniumyl-5-oxopentanoate
| Internal ID | 985055ad-3973-4760-b6a6-6666ff464062 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Peptides > Oligopeptides |
| IUPAC Name | 5-[[1-[(2-amino-2-oxoethyl)amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-2-azaniumyl-5-oxopentanoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C10H18N4O5S/c11-5(10(18)19)1-2-8(16)14-6(4-20)9(17)13-3-7(12)15/h5-6,20H,1-4,11H2,(H2,12,15)(H,13,17)(H,14,16)(H,18,19) |
| InChI Key | FBCIXVYKFFJYFT-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C10H18N4O5S |
| Molecular Weight | 306.34 g/mol |
| Exact Mass | 306.09979086 g/mol |
| Topological Polar Surface Area (TPSA) | 170.00 Ų |
| XlogP | -4.50 |
| There are no found synonyms. |
![2D Structure of 5-[[1-[(2-Amino-2-oxoethyl)amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-2-azaniumyl-5-oxopentanoate](https://plantaedb.com/storage/docs/compounds/2023/11/5-1-2-amino-2-oxoethylamino-1-oxo-3-sulfanylpropan-2-ylamino-2-azaniumyl-5-oxopentanoate.jpg "2D Structure of 5-[[1-[(2-Amino-2-oxoethyl)amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-2-azaniumyl-5-oxopentanoate")
| 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 | 99.09% | 83.82% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.41% | 98.95% |
| CHEMBL1907594 | P30926 | Neuronal acetylcholine receptor; alpha3/beta4 | 92.75% | 97.23% |
| CHEMBL2094135 | Q96BI3 | Gamma-secretase | 92.42% | 98.05% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.09% | 94.45% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 91.57% | 100.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 91.45% | 99.17% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 90.82% | 97.21% |
| CHEMBL2973 | O75116 | Rho-associated protein kinase 2 | 89.13% | 96.73% |
| CHEMBL4816 | Q9Y243 | Serine/threonine-protein kinase AKT3 | 88.25% | 96.28% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 87.95% | 96.09% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 87.82% | 96.95% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 87.76% | 89.63% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 87.76% | 91.11% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 87.47% | 91.19% |
| CHEMBL3976 | Q9UHL4 | Dipeptidyl peptidase II | 86.30% | 92.29% |
| CHEMBL5261 | Q7L7X3 | Serine/threonine-protein kinase TAO1 | 86.19% | 89.33% |
| CHEMBL4101 | P17612 | cAMP-dependent protein kinase alpha-catalytic subunit | 85.21% | 82.86% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 85.13% | 90.17% |
| CHEMBL5701 | Q9H2K8 | Serine/threonine-protein kinase TAO3 | 84.01% | 96.67% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 83.97% | 90.20% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 83.74% | 95.71% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 81.72% | 96.00% |
| CHEMBL3437 | Q16853 | Amine oxidase, copper containing | 81.50% | 94.00% |
| CHEMBL3784 | Q09472 | Histone acetyltransferase p300 | 81.41% | 93.33% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 80.60% | 89.50% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 80.00% | 90.71% |
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 | 25202664 |
| LOTUS | LTS0069296 |
| wikiData | Q77500000 |