Planktopeptin BL843
| Internal ID | 94c61e85-4a61-490a-8deb-aafddce2544b |
| Taxonomy | Organic acids and derivatives > Peptidomimetics > Depsipeptides > Cyclic depsipeptides |
| IUPAC Name | N-[(2R,5S,8S,11R,12S,15S,18S,21R)-8-[(2S)-butan-2-yl]-21-hydroxy-2-[(1S)-1-hydroxyethyl]-5-[(4-methoxyphenyl)methyl]-4,11-dimethyl-15-(2-methylpropyl)-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]-5-oxopyrrolidine-2-carboxamide |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C41H61N7O12/c1-9-21(4)32-41(58)60-23(6)33(46-35(52)26-14-16-30(50)42-26)38(55)44-28(18-20(2)3)36(53)43-27-15-17-31(51)48(39(27)56)34(22(5)49)40(57)47(7)29(37(54)45-32)19-24-10-12-25(59-8)13-11-24/h10-13,20-23,26-29,31-34,49,51H,9,14-19H2,1-8H3,(H,42,50)(H,43,53)(H,44,55)(H,45,54)(H,46,52)/t21-,22-,23+,26?,27-,28-,29-,31+,32-,33-,34+/m0/s1 |
| InChI Key | NEBZXFVQFIUEIH-ZXVTVJSFSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C41H61N7O12 |
| Molecular Weight | 844.00 g/mol |
| Exact Mass | 843.43782041 g/mol |
| Topological Polar Surface Area (TPSA) | 262.00 Ų |
| XlogP | 2.00 |
| There are no found synonyms. |
| 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 | 99.69% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 99.30% | 96.09% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 98.49% | 83.82% |
| CHEMBL4072 | P07858 | Cathepsin B | 96.02% | 93.67% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 95.87% | 90.00% |
| CHEMBL333 | P08253 | Matrix metalloproteinase-2 | 95.46% | 96.31% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.09% | 94.45% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.83% | 95.56% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 93.66% | 99.17% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 93.24% | 97.14% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 93.13% | 98.59% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 92.39% | 95.93% |
| CHEMBL4588 | P22894 | Matrix metalloproteinase 8 | 92.29% | 94.66% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 91.75% | 95.89% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.48% | 97.09% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 91.42% | 95.71% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.14% | 91.11% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 90.70% | 95.89% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 90.46% | 93.99% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 89.36% | 85.14% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 88.55% | 92.62% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 88.47% | 90.08% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.88% | 86.33% |
| CHEMBL4616 | Q92847 | Ghrelin receptor | 87.62% | 92.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 87.28% | 94.00% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 85.95% | 94.75% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 85.82% | 96.38% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 85.25% | 97.64% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 84.92% | 93.00% |
| CHEMBL2563 | Q9UQL6 | Histone deacetylase 5 | 84.58% | 89.67% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 84.44% | 97.25% |
| CHEMBL321 | P14780 | Matrix metalloproteinase 9 | 84.35% | 92.12% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 83.72% | 94.33% |
| CHEMBL1949 | P62937 | Cyclophilin A | 82.70% | 98.57% |
| CHEMBL4005 | P42336 | PI3-kinase p110-alpha subunit | 82.67% | 97.47% |
| CHEMBL283 | P08254 | Matrix metalloproteinase 3 | 82.48% | 97.29% |
| CHEMBL3837 | P07711 | Cathepsin L | 82.05% | 96.61% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 81.30% | 91.19% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.01% | 89.00% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 80.80% | 96.00% |
| CHEMBL3437 | Q16853 | Amine oxidase, copper containing | 80.52% | 94.00% |
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 | 139583453 |
| LOTUS | LTS0071582 |
| wikiData | Q75062751 |