cyclo[DL-Leu-DL-Pro-DL-N(Me)Phe-DL-Val-DL-xiIle]
| Internal ID | 62c3b820-975f-4395-8018-6a22f9f821c5 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Peptides > Cyclic peptides |
| IUPAC Name | 12-benzyl-6-butan-2-yl-13-methyl-3-(2-methylpropyl)-9-propan-2-yl-1,4,7,10,13-pentazabicyclo[13.3.0]octadecane-2,5,8,11,14-pentone |
| SMILES (Canonical) | CCC(C)C1C(=O)NC(C(=O)N2CCCC2C(=O)N(C(C(=O)NC(C(=O)N1)C(C)C)CC3=CC=CC=C3)C)CC(C)C |
| SMILES (Isomeric) | CCC(C)C1C(=O)NC(C(=O)N2CCCC2C(=O)N(C(C(=O)NC(C(=O)N1)C(C)C)CC3=CC=CC=C3)C)CC(C)C |
| InChI | InChI=1S/C32H49N5O5/c1-8-21(6)27-30(40)33-23(17-19(2)3)31(41)37-16-12-15-24(37)32(42)36(7)25(18-22-13-10-9-11-14-22)28(38)34-26(20(4)5)29(39)35-27/h9-11,13-14,19-21,23-27H,8,12,15-18H2,1-7H3,(H,33,40)(H,34,38)(H,35,39) |
| InChI Key | NSBVGLQWOAQURC-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C32H49N5O5 |
| Molecular Weight | 583.80 g/mol |
| Exact Mass | 583.37336968 g/mol |
| Topological Polar Surface Area (TPSA) | 128.00 Ų |
| XlogP | 4.40 |
| There are no found synonyms. |
![2D Structure of cyclo[DL-Leu-DL-Pro-DL-N(Me)Phe-DL-Val-DL-xiIle]](https://plantaedb.com/storage/docs/compounds/2023/11/cyclodl-leu-dl-pro-dl-nmephe-dl-val-dl-xiile.jpg "2D Structure of cyclo[DL-Leu-DL-Pro-DL-N(Me)Phe-DL-Val-DL-xiIle]")
| 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 | 99.93% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.93% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 96.03% | 95.56% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 95.92% | 90.08% |
| CHEMBL333 | P08253 | Matrix metalloproteinase-2 | 95.71% | 96.31% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 95.04% | 85.14% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 94.82% | 97.64% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 93.25% | 97.25% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 92.94% | 90.17% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 90.28% | 97.05% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 89.96% | 82.38% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 88.82% | 94.75% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.71% | 95.89% |
| CHEMBL3524 | P56524 | Histone deacetylase 4 | 87.18% | 92.97% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 86.43% | 95.93% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 86.34% | 93.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.94% | 86.33% |
| CHEMBL3202 | P48147 | Prolyl endopeptidase | 85.50% | 90.65% |
| CHEMBL2095172 | P14867 | GABA-A receptor; alpha-1/beta-2/gamma-2 | 84.73% | 92.67% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.56% | 97.09% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 84.18% | 90.71% |
| CHEMBL1978 | P11511 | Cytochrome P450 19A1 | 83.15% | 91.76% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 82.78% | 93.03% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 82.27% | 99.18% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 82.23% | 94.45% |
| CHEMBL1949 | P62937 | Cyclophilin A | 81.65% | 98.57% |
| CHEMBL4616 | Q92847 | Ghrelin receptor | 81.45% | 92.00% |
| CHEMBL228 | P31645 | Serotonin transporter | 81.29% | 95.51% |
| CHEMBL4523377 | Q86WV6 | Stimulator of interferon genes protein | 81.19% | 95.48% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 81.07% | 90.93% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 80.74% | 97.14% |
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 | 75995999 |
| LOTUS | LTS0084058 |
| wikiData | Q104179955 |