Cyclo(L-alpha-Glutamyl-L-prolyl-L-alpha-
| Internal ID | ca8adfc5-f002-427e-9c2f-1122900da02f |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Peptides > Cyclic peptides |
| IUPAC Name | 3-[(3S,6S,12S,15S)-12-(2-carboxyethyl)-2,5,11,14-tetraoxo-1,4,10,13-tetrazatricyclo[13.3.0.06,10]octadecan-3-yl]propanoic acid |
| SMILES (Canonical) | C1CC2C(=O)NC(C(=O)N3CCCC3C(=O)NC(C(=O)N2C1)CCC(=O)O)CCC(=O)O |
| SMILES (Isomeric) | C1C[C@H]2C(=O)N[C@H](C(=O)N3CCC[C@H]3C(=O)N[C@H](C(=O)N2C1)CCC(=O)O)CCC(=O)O |
| InChI | InChI=1S/C20H28N4O8/c25-15(26)7-5-11-19(31)23-9-1-3-13(23)17(29)21-12(6-8-16(27)28)20(32)24-10-2-4-14(24)18(30)22-11/h11-14H,1-10H2,(H,21,29)(H,22,30)(H,25,26)(H,27,28)/t11-,12-,13-,14-/m0/s1 |
| InChI Key | BOVBRDXZRVJXLF-XUXIUFHCSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C20H28N4O8 |
| Molecular Weight | 452.50 g/mol |
| Exact Mass | 452.19071386 g/mol |
| Topological Polar Surface Area (TPSA) | 173.00 Ų |
| XlogP | -1.40 |
| Cyclo(L-alpha-Glutamyl-L-prolyl-L-alpha- |
| 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 | 97.52% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.13% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 96.00% | 85.14% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 94.11% | 97.05% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 91.29% | 95.62% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 86.89% | 93.00% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 86.84% | 93.03% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.32% | 97.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 85.53% | 97.25% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 85.00% | 90.08% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 84.87% | 82.38% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 84.74% | 97.64% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.28% | 94.45% |
| CHEMBL228 | P31645 | Serotonin transporter | 83.34% | 95.51% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.31% | 95.89% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 83.20% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 82.61% | 95.56% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 82.53% | 99.23% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 81.17% | 93.04% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 44584282 |
| LOTUS | LTS0012609 |
| wikiData | Q77280403 |