Micropeptin 88 B
| Internal ID | abe7c035-a362-4533-bd75-7cc26cc9688c |
| Taxonomy | Organic acids and derivatives > Peptidomimetics > Depsipeptides > Cyclic depsipeptides |
| IUPAC Name | (2S)-5-[[(2S,5S,8S,11R,12S,15S,18S,21R)-5-benzyl-8-[(2S)-butan-2-yl]-15-(2-carboxyethyl)-21-hydroxy-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-2-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]amino]-2-[[(2S)-2-(butanoylamino)-3-(4-hydroxyphenyl)propanoyl]amino]-5-oxopentanoic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C53H74N8O16/c1-8-13-39(63)54-37(26-32-16-18-33(62)19-17-32)47(69)57-36(52(74)75)20-23-40(64)58-44-30(6)77-53(76)43(29(5)9-2)59-48(70)38(27-31-14-11-10-12-15-31)60(7)51(73)45(28(3)4)61-41(65)24-21-35(50(61)72)56-46(68)34(55-49(44)71)22-25-42(66)67/h10-12,14-19,28-30,34-38,41,43-45,62,65H,8-9,13,20-27H2,1-7H3,(H,54,63)(H,55,71)(H,56,68)(H,57,69)(H,58,64)(H,59,70)(H,66,67)(H,74,75)/t29-,30+,34-,35-,36-,37-,38-,41+,43-,44-,45-/m0/s1 |
| InChI Key | YCVYNQFZZBCUTC-NPYWRNGISA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C53H74N8O16 |
| Molecular Weight | 1079.20 g/mol |
| Exact Mass | 1078.52227830 g/mol |
| Topological Polar Surface Area (TPSA) | 357.00 Ų |
| XlogP | 2.80 |
| CHEMBL538538 |
| 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 | 99.98% | 98.95% |
| CHEMBL3837 | P07711 | Cathepsin L | 99.57% | 96.61% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 98.28% | 99.17% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 97.68% | 83.82% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 96.96% | 93.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.40% | 96.09% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 95.62% | 97.64% |
| CHEMBL4072 | P07858 | Cathepsin B | 95.49% | 93.67% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.15% | 95.56% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 94.94% | 97.14% |
| CHEMBL236 | P41143 | Delta opioid receptor | 94.59% | 99.35% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.56% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.55% | 94.45% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 94.12% | 90.08% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 93.48% | 95.89% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 92.32% | 93.56% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 92.05% | 82.38% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 92.01% | 95.93% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 91.43% | 90.17% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 90.97% | 89.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 90.01% | 99.23% |
| CHEMBL2095172 | P14867 | GABA-A receptor; alpha-1/beta-2/gamma-2 | 88.31% | 92.67% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 87.91% | 91.19% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 86.74% | 89.50% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 86.40% | 98.59% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 86.36% | 90.71% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 85.97% | 85.14% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.61% | 95.89% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 85.56% | 93.10% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 85.41% | 95.38% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.88% | 97.09% |
| CHEMBL2000 | P03952 | Plasma kallikrein | 84.53% | 93.92% |
| CHEMBL5939 | Q9NZ08 | Endoplasmic reticulum aminopeptidase 1 | 84.48% | 100.00% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 83.54% | 93.03% |
| CHEMBL1907594 | P30926 | Neuronal acetylcholine receptor; alpha3/beta4 | 83.23% | 97.23% |
| CHEMBL1949 | P62937 | Cyclophilin A | 82.88% | 98.57% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 82.13% | 98.33% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 81.79% | 99.15% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 81.57% | 92.08% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 81.56% | 96.90% |
| CHEMBL333 | P08253 | Matrix metalloproteinase-2 | 81.33% | 96.31% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 80.71% | 90.20% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| PubChem | 10629964 |
| LOTUS | LTS0133039 |
| wikiData | Q105346540 |