2-[[6-amino-2-[(5-oxopyrrolidine-2-carbonyl)amino]hexanoyl]amino]-3-(1H-indol-3-yl)propanoic acid
| Internal ID | cdfcac6f-7e32-49f4-a0d5-7e02175c6e94 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Peptides > Oligopeptides |
| IUPAC Name | 2-[[6-amino-2-[(5-oxopyrrolidine-2-carbonyl)amino]hexanoyl]amino]-3-(1H-indol-3-yl)propanoic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C22H29N5O5/c23-10-4-3-7-16(26-21(30)17-8-9-19(28)25-17)20(29)27-18(22(31)32)11-13-12-24-15-6-2-1-5-14(13)15/h1-2,5-6,12,16-18,24H,3-4,7-11,23H2,(H,25,28)(H,26,30)(H,27,29)(H,31,32) |
| InChI Key | DDCLBYSFIHXSIU-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C22H29N5O5 |
| Molecular Weight | 443.50 g/mol |
| Exact Mass | 443.21686904 g/mol |
| Topological Polar Surface Area (TPSA) | 166.00 Ų |
| XlogP | -2.70 |
| There are no found synonyms. |
![2D Structure of 2-[[6-amino-2-[(5-oxopyrrolidine-2-carbonyl)amino]hexanoyl]amino]-3-(1H-indol-3-yl)propanoic acid](https://plantaedb.com/storage/docs/compounds/2023/11/2-6-amino-2-5-oxopyrrolidine-2-carbonylaminohexanoylamino-3-1h-indol-3-ylpropanoic-acid.jpg "2D Structure of 2-[[6-amino-2-[(5-oxopyrrolidine-2-carbonyl)amino]hexanoyl]amino]-3-(1H-indol-3-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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.39% | 91.11% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 98.48% | 88.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 98.27% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 97.22% | 95.56% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 96.20% | 98.33% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.83% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 94.68% | 97.09% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 93.56% | 90.08% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 92.59% | 97.64% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 92.54% | 93.99% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 92.05% | 99.17% |
| CHEMBL3837 | P07711 | Cathepsin L | 91.80% | 96.61% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 91.72% | 90.20% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 90.46% | 83.82% |
| CHEMBL4101 | P17612 | cAMP-dependent protein kinase alpha-catalytic subunit | 89.17% | 82.86% |
| CHEMBL5028 | O14672 | ADAM10 | 87.98% | 97.50% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 87.89% | 100.00% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 87.66% | 94.75% |
| CHEMBL4979 | P13866 | Sodium/glucose cotransporter 1 | 87.55% | 98.24% |
| CHEMBL1907594 | P30926 | Neuronal acetylcholine receptor; alpha3/beta4 | 87.46% | 97.23% |
| CHEMBL1829 | O15379 | Histone deacetylase 3 | 86.89% | 95.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 86.45% | 94.45% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 85.76% | 91.71% |
| CHEMBL213 | P08588 | Beta-1 adrenergic receptor | 84.28% | 95.56% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 84.01% | 82.69% |
| CHEMBL1808 | P12821 | Angiotensin-converting enzyme | 83.55% | 93.39% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 83.53% | 100.00% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 83.44% | 98.59% |
| CHEMBL3830 | Q2M2I8 | Adaptor-associated kinase | 83.38% | 83.10% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 82.66% | 93.56% |
| CHEMBL2492 | P36544 | Neuronal acetylcholine receptor protein alpha-7 subunit | 81.76% | 88.42% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 81.70% | 99.23% |
| CHEMBL4816 | Q9Y243 | Serine/threonine-protein kinase AKT3 | 81.38% | 96.28% |
| CHEMBL2973 | O75116 | Rho-associated protein kinase 2 | 81.03% | 96.73% |
| CHEMBL5939 | Q9NZ08 | Endoplasmic reticulum aminopeptidase 1 | 80.85% | 100.00% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 80.34% | 91.81% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 80.21% | 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.
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| There are no matching plants. |
| PubChem | 13746363 |
| LOTUS | LTS0082218 |
| wikiData | Q104976205 |