cyclo[Gly-D-Pro-Ile-Val-Unk]
| Internal ID | 40f2c9d4-fdb2-45d8-b885-393e61159a09 |
| Taxonomy | Organic acids and derivatives > Peptidomimetics > Hybrid peptides |
| IUPAC Name | 3-[(6S,9S,12S,15R)-12-[(2S)-butan-2-yl]-5-methylidene-2,8,11,14-tetraoxo-9-propan-2-yl-1,4,7,10,13-pentazabicyclo[13.3.0]octadecan-6-yl]propanoic acid |
| SMILES (Canonical) | CCC(C)C1C(=O)NC(C(=O)NC(C(=C)NCC(=O)N2CCCC2C(=O)N1)CCC(=O)O)C(C)C |
| SMILES (Isomeric) | CC[C@H](C)[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=C)NCC(=O)N2CCC[C@@H]2C(=O)N1)CCC(=O)O)C(C)C |
| InChI | InChI=1S/C24H39N5O6/c1-6-14(4)21-24(35)27-20(13(2)3)23(34)26-16(9-10-19(31)32)15(5)25-12-18(30)29-11-7-8-17(29)22(33)28-21/h13-14,16-17,20-21,25H,5-12H2,1-4H3,(H,26,34)(H,27,35)(H,28,33)(H,31,32)/t14-,16-,17+,20-,21-/m0/s1 |
| InChI Key | AJKPRWCGASAKLR-PQSRSFJPSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C24H39N5O6 |
| Molecular Weight | 493.60 g/mol |
| Exact Mass | 493.29003398 g/mol |
| Topological Polar Surface Area (TPSA) | 157.00 Ų |
| XlogP | 1.50 |
| There are no found synonyms. |
![2D Structure of cyclo[Gly-D-Pro-Ile-Val-Unk]](https://plantaedb.com/storage/docs/compounds/2023/11/cyclogly-d-pro-ile-val-unk.jpg "2D Structure of cyclo[Gly-D-Pro-Ile-Val-Unk]")
| 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 | 99.56% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.40% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 97.39% | 85.14% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 94.77% | 90.17% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 94.06% | 90.08% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 92.21% | 97.25% |
| CHEMBL4071 | P08311 | Cathepsin G | 91.40% | 94.64% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 90.08% | 93.03% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 89.74% | 95.62% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 88.04% | 97.05% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 88.01% | 90.71% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.78% | 94.45% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 87.68% | 96.47% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 87.08% | 82.38% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.86% | 97.09% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.61% | 95.89% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 86.17% | 94.75% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 85.43% | 93.00% |
| CHEMBL228 | P31645 | Serotonin transporter | 84.08% | 95.51% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 83.22% | 95.50% |
| CHEMBL4005 | P42336 | PI3-kinase p110-alpha subunit | 81.75% | 97.47% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 80.76% | 93.04% |
| CHEMBL202 | P00374 | Dihydrofolate reductase | 80.65% | 89.92% |
| CHEMBL4588 | P22894 | Matrix metalloproteinase 8 | 80.46% | 94.66% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 80.39% | 91.11% |
| CHEMBL2443 | P49862 | Kallikrein 7 | 80.22% | 94.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 80.04% | 95.56% |
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 | 162820873 |
| LOTUS | LTS0158678 |
| wikiData | Q104913235 |