cyclo[D-Cys(1)-D-Cys(1)-D-Val-Leu-D-Leu]
| Internal ID | df52574c-624e-4995-8f6b-fd227e885200 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Peptides > Oligopeptides |
| IUPAC Name | (1S,4R,7S,10R,13S)-4,7-bis(2-methylpropyl)-10-propan-2-yl-15,16-dithia-2,5,8,11,19-pentazabicyclo[11.4.2]nonadecane-3,6,9,12,18-pentone |
| SMILES (Canonical) | CC(C)CC1C(=O)NC2CSSCC(C(=O)NC(C(=O)NC(C(=O)N1)CC(C)C)C(C)C)NC2=O |
| SMILES (Isomeric) | CC(C)C[C@@H]1C(=O)N[C@@H]2CSSC[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N1)CC(C)C)C(C)C)NC2=O |
| InChI | InChI=1S/C23H39N5O5S2/c1-11(2)7-14-20(30)26-16-9-34-35-10-17(27-21(16)31)22(32)28-18(13(5)6)23(33)25-15(8-12(3)4)19(29)24-14/h11-18H,7-10H2,1-6H3,(H,24,29)(H,25,33)(H,26,30)(H,27,31)(H,28,32)/t14-,15+,16-,17-,18-/m1/s1 |
| InChI Key | TZODYIWCRGWHQB-CWQOZTLDSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C23H39N5O5S2 |
| Molecular Weight | 529.70 g/mol |
| Exact Mass | 529.23926171 g/mol |
| Topological Polar Surface Area (TPSA) | 196.00 Ų |
| XlogP | 2.10 |
| There are no found synonyms. |
![2D Structure of cyclo[D-Cys(1)-D-Cys(1)-D-Val-Leu-D-Leu]](https://plantaedb.com/storage/docs/compounds/2023/11/cyclod-cys1-d-cys1-d-val-leu-d-leu.jpg "2D Structure of cyclo[D-Cys(1)-D-Cys(1)-D-Val-Leu-D-Leu]")
| 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 | 96.70% | 98.95% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 95.22% | 94.75% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 94.82% | 83.82% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.30% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 94.13% | 97.25% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 91.14% | 90.08% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 88.42% | 95.93% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 87.69% | 88.56% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 87.61% | 91.11% |
| CHEMBL1949 | P62937 | Cyclophilin A | 86.84% | 98.57% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 86.80% | 94.45% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.57% | 95.56% |
| CHEMBL1907594 | P30926 | Neuronal acetylcholine receptor; alpha3/beta4 | 86.42% | 97.23% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.16% | 97.09% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 84.83% | 96.47% |
| CHEMBL4072 | P07858 | Cathepsin B | 84.21% | 93.67% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 80.34% | 90.71% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 162961354 |
| LOTUS | LTS0059243 |
| wikiData | Q105268283 |