cyclo[Ala-Val-Met-Leu-Arg-Pro-Pro]
| Internal ID | f732bbbd-e270-481a-aeff-e4369315611d |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Peptides > Oligopeptides |
| IUPAC Name | 2-[3-[(3S,9S,12S,15S,18S,21S,24S)-21-methyl-12-(2-methylpropyl)-15-(2-methylsulfanylethyl)-2,8,11,14,17,20,23-heptaoxo-18-propan-2-yl-1,7,10,13,16,19,22-heptazatricyclo[22.3.0.03,7]heptacosan-9-yl]propyl]guanidine |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C35H60N10O7S/c1-19(2)18-24-30(48)41-23(10-7-14-38-35(36)37)33(51)45-16-9-12-26(45)34(52)44-15-8-11-25(44)31(49)39-21(5)28(46)43-27(20(3)4)32(50)40-22(13-17-53-6)29(47)42-24/h19-27H,7-18H2,1-6H3,(H,39,49)(H,40,50)(H,41,48)(H,42,47)(H,43,46)(H4,36,37,38)/t21-,22-,23-,24-,25-,26-,27-/m0/s1 |
| InChI Key | VTPQLSBDEPVAAC-DUJSLOSMSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C35H60N10O7S |
| Molecular Weight | 765.00 g/mol |
| Exact Mass | 764.43671546 g/mol |
| Topological Polar Surface Area (TPSA) | 276.00 Ų |
| XlogP | 0.60 |
| There are no found synonyms. |
![2D Structure of cyclo[Ala-Val-Met-Leu-Arg-Pro-Pro]](https://plantaedb.com/storage/docs/compounds/2023/11/cycloala-val-met-leu-arg-pro-pro.jpg "2D Structure of cyclo[Ala-Val-Met-Leu-Arg-Pro-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 | 99.43% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.85% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 96.22% | 97.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 95.56% | 85.14% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 95.54% | 90.71% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.00% | 91.11% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 93.85% | 97.05% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 93.74% | 90.08% |
| CHEMBL1978 | P11511 | Cytochrome P450 19A1 | 93.55% | 91.76% |
| CHEMBL333 | P08253 | Matrix metalloproteinase-2 | 93.19% | 96.31% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 91.86% | 97.25% |
| CHEMBL4296 | Q15858 | Sodium channel protein type IX alpha subunit | 90.96% | 96.11% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 90.19% | 95.89% |
| CHEMBL4588 | P22894 | Matrix metalloproteinase 8 | 90.06% | 94.66% |
| CHEMBL204 | P00734 | Thrombin | 90.02% | 96.01% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.81% | 94.45% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 89.16% | 95.93% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.15% | 95.56% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 88.78% | 93.03% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 88.56% | 94.75% |
| CHEMBL1949 | P62937 | Cyclophilin A | 87.32% | 98.57% |
| CHEMBL2443 | P49862 | Kallikrein 7 | 86.99% | 94.00% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 85.79% | 96.47% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 85.55% | 95.50% |
| CHEMBL213 | P08588 | Beta-1 adrenergic receptor | 85.49% | 95.56% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 84.89% | 97.64% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 84.77% | 93.00% |
| CHEMBL3392948 | Q9NP59 | Solute carrier family 40 member 1 | 84.18% | 95.00% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 84.18% | 100.00% |
| CHEMBL228 | P31645 | Serotonin transporter | 83.88% | 95.51% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 83.85% | 99.18% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 82.67% | 82.38% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 81.81% | 90.24% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 80.95% | 95.62% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 80.83% | 93.56% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 80.73% | 98.33% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 80.57% | 82.69% |
| CHEMBL4506 | Q96EB6 | NAD-dependent deacetylase sirtuin 1 | 80.56% | 88.33% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 80.16% | 92.88% |
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 | 21774288 |
| LOTUS | LTS0229698 |
| wikiData | Q105292927 |