cyclo[Ala-Leu-D-Leu-Trp-D-Glu]
| Internal ID | 910a5935-e9a7-4a75-841c-231b4f781648 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Peptides > Cyclic peptides |
| IUPAC Name | 3-[(2R,5S,8S,11R,14S)-14-(1H-indol-3-ylmethyl)-5-methyl-8,11-bis(2-methylpropyl)-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]propanoic acid |
| SMILES (Canonical) | CC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)CCC(=O)O)CC2=CNC3=CC=CC=C32)CC(C)C)CC(C)C |
| SMILES (Isomeric) | C[C@H]1C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N1)CCC(=O)O)CC2=CNC3=CC=CC=C32)CC(C)C)CC(C)C |
| InChI | InChI=1S/C31H44N6O7/c1-16(2)12-23-29(42)36-24(13-17(3)4)30(43)37-25(14-19-15-32-21-9-7-6-8-20(19)21)31(44)34-22(10-11-26(38)39)28(41)33-18(5)27(40)35-23/h6-9,15-18,22-25,32H,10-14H2,1-5H3,(H,33,41)(H,34,44)(H,35,40)(H,36,42)(H,37,43)(H,38,39)/t18-,22+,23-,24+,25-/m0/s1 |
| InChI Key | HDXCQTKSXNYXGI-WXJVVRSYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C31H44N6O7 |
| Molecular Weight | 612.70 g/mol |
| Exact Mass | 612.32714776 g/mol |
| Topological Polar Surface Area (TPSA) | 199.00 Ų |
| XlogP | 2.60 |
| There are no found synonyms. |
![2D Structure of cyclo[Ala-Leu-D-Leu-Trp-D-Glu]](https://plantaedb.com/storage/docs/compounds/2023/11/cycloala-leu-d-leu-trp-d-glu.jpg "2D Structure of cyclo[Ala-Leu-D-Leu-Trp-D-Glu]")
| 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 | 99.09% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 99.06% | 98.95% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 98.73% | 83.82% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.82% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.64% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 94.59% | 85.14% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 91.76% | 94.75% |
| CHEMBL3155 | P34969 | Serotonin 7 (5-HT7) receptor | 91.47% | 90.71% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 89.09% | 96.47% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 88.41% | 99.23% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 87.05% | 94.62% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 86.97% | 90.20% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 86.64% | 88.56% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 85.87% | 90.08% |
| CHEMBL1949 | P62937 | Cyclophilin A | 85.51% | 98.57% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 85.42% | 97.64% |
| CHEMBL213 | P08588 | Beta-1 adrenergic receptor | 84.73% | 95.56% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 82.48% | 97.25% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.23% | 89.00% |
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.
| There are no matching plants. |
| PubChem | 139586047 |
| LOTUS | LTS0068285 |
| wikiData | Q77497747 |