cyclo[Leu-Thr-Val-Pro-D-Trp-Pro-D-Phe-Pro]
| Internal ID | 16b6e792-ddc7-4d3a-b7d5-a427b159f62b |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Peptides > Cyclic peptides |
| IUPAC Name | (3R,6S,12R,15S,21S,24S,27S,30S)-3-benzyl-24-[(1R)-1-hydroxyethyl]-12-(1H-indol-3-ylmethyl)-27-(2-methylpropyl)-21-propan-2-yl-1,4,10,13,19,22,25,28-octazatetracyclo[28.3.0.06,10.015,19]tritriacontane-2,5,11,14,20,23,26,29-octone |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C50H67N9O9/c1-28(2)24-35-43(61)56-42(30(5)60)47(65)55-41(29(3)4)50(68)59-23-13-20-40(59)46(64)54-37(26-32-27-51-34-17-10-9-16-33(32)34)49(67)58-22-12-19-39(58)45(63)53-36(25-31-14-7-6-8-15-31)48(66)57-21-11-18-38(57)44(62)52-35/h6-10,14-17,27-30,35-42,51,60H,11-13,18-26H2,1-5H3,(H,52,62)(H,53,63)(H,54,64)(H,55,65)(H,56,61)/t30-,35+,36-,37-,38+,39+,40+,41+,42+/m1/s1 |
| InChI Key | PQHJKVOBHFTBOJ-BQDGZKEKSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C50H67N9O9 |
| Molecular Weight | 938.10 g/mol |
| Exact Mass | 937.50617475 g/mol |
| Topological Polar Surface Area (TPSA) | 242.00 Ų |
| XlogP | 4.40 |
| There are no found synonyms. |
![2D Structure of cyclo[Leu-Thr-Val-Pro-D-Trp-Pro-D-Phe-Pro]](https://plantaedb.com/storage/docs/compounds/2023/11/cycloleu-thr-val-pro-d-trp-pro-d-phe-pro.jpg "2D Structure of cyclo[Leu-Thr-Val-Pro-D-Trp-Pro-D-Phe-Pro]")
| 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 | 99.86% | 98.95% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 99.20% | 85.14% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.50% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.07% | 91.11% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 97.84% | 97.64% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 96.93% | 95.56% |
| CHEMBL333 | P08253 | Matrix metalloproteinase-2 | 96.83% | 96.31% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 96.43% | 90.08% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 93.55% | 88.56% |
| CHEMBL3524 | P56524 | Histone deacetylase 4 | 93.07% | 92.97% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 91.52% | 95.89% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.02% | 97.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.15% | 94.45% |
| CHEMBL3155 | P34969 | Serotonin 7 (5-HT7) receptor | 90.04% | 90.71% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 89.02% | 94.75% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 87.71% | 92.62% |
| CHEMBL213 | P08588 | Beta-1 adrenergic receptor | 87.55% | 95.56% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.07% | 89.00% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 86.81% | 99.18% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 86.68% | 93.03% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 86.45% | 97.05% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 86.36% | 82.38% |
| CHEMBL5805 | Q9NR97 | Toll-like receptor 8 | 85.86% | 96.25% |
| CHEMBL1978 | P11511 | Cytochrome P450 19A1 | 84.38% | 91.76% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 83.08% | 90.93% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 82.36% | 83.82% |
| CHEMBL1949 | P62937 | Cyclophilin A | 82.01% | 98.57% |
| CHEMBL3202 | P48147 | Prolyl endopeptidase | 81.44% | 90.65% |
| CHEMBL2095172 | P14867 | GABA-A receptor; alpha-1/beta-2/gamma-2 | 81.08% | 92.67% |
| CHEMBL228 | P31645 | Serotonin transporter | 80.51% | 95.51% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 163053118 |
| LOTUS | LTS0164385 |
| wikiData | Q105213235 |