Tsushimycin
| Internal ID | 9e2c4f96-06ab-4720-863d-cb5384372aeb |
| Taxonomy | Organic acids and derivatives > Peptidomimetics > Hybrid peptides |
| IUPAC Name | (3S)-4-[[(3S,7S,13S,16S,23S,29S,35S)-16-[(1R)-1-aminoethyl]-32-(1-carboxyethyl)-23,29-bis(carboxymethyl)-4-methyl-2,6,12,15,18,20,22,25,28,31,34-undecaoxo-13-propan-2-yl-1,5,11,14,17,21,24,27,30,33-decazatricyclo[33.4.0.07,11]nonatriacontan-3-yl]amino]-3-[[(E)-12-methyltridec-3-enoyl]amino]-4-oxobutanoic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C60H93N13O21/c1-30(2)19-14-12-10-8-9-11-13-15-22-40(74)64-37(27-46(82)83)53(86)71-50-34(7)63-54(87)39-21-18-24-73(39)58(91)47(31(3)4)69-57(90)49(33(6)61)67-41(75)28-42(76)68-52(85)36(26-45(80)81)65-43(77)29-62-51(84)35(25-44(78)79)66-56(89)48(32(5)60(93)94)70-55(88)38-20-16-17-23-72(38)59(50)92/h13,15,30-39,47-50H,8-12,14,16-29,61H2,1-7H3,(H,62,84)(H,63,87)(H,64,74)(H,65,77)(H,66,89)(H,67,75)(H,69,90)(H,70,88)(H,71,86)(H,78,79)(H,80,81)(H,82,83)(H,93,94)(H,68,76,85)/b15-13+/t32?,33-,34?,35+,36+,37+,38+,39+,47+,48?,49+,50+/m1/s1 |
| InChI Key | UYDPPDOTOCWOBT-DIKMMNQVSA-N |
| Popularity | 8 references in papers |
| Molecular Formula | C60H93N13O21 |
| Molecular Weight | 1332.50 g/mol |
| Exact Mass | 1331.66089703 g/mol |
| Topological Polar Surface Area (TPSA) | 524.00 Ų |
| XlogP | -2.50 |
| 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 | 99.74% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 99.53% | 96.09% |
| CHEMBL236 | P41143 | Delta opioid receptor | 99.36% | 99.35% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.31% | 91.11% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 98.10% | 91.03% |
| CHEMBL4801 | P29466 | Caspase-1 | 98.05% | 96.85% |
| CHEMBL3524 | P56524 | Histone deacetylase 4 | 96.99% | 92.97% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 96.84% | 95.93% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 96.60% | 90.17% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 96.33% | 93.00% |
| CHEMBL4296 | Q15858 | Sodium channel protein type IX alpha subunit | 95.42% | 96.11% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 94.96% | 90.08% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 94.89% | 82.38% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 94.79% | 99.17% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 94.46% | 97.05% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 94.36% | 95.50% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 94.22% | 90.71% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.25% | 94.45% |
| CHEMBL4588 | P22894 | Matrix metalloproteinase 8 | 93.19% | 94.66% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 92.48% | 98.33% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 92.00% | 96.90% |
| CHEMBL4071 | P08311 | Cathepsin G | 91.69% | 94.64% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 91.61% | 99.18% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 90.11% | 95.89% |
| CHEMBL3468 | P55210 | Caspase-7 | 88.52% | 95.68% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 88.36% | 93.03% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 88.34% | 96.38% |
| CHEMBL4979 | P13866 | Sodium/glucose cotransporter 1 | 88.29% | 98.24% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 88.10% | 93.56% |
| CHEMBL2094135 | Q96BI3 | Gamma-secretase | 87.99% | 98.05% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 87.84% | 90.24% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.58% | 97.09% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 87.52% | 89.50% |
| CHEMBL333 | P08253 | Matrix metalloproteinase-2 | 86.92% | 96.31% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 86.32% | 100.00% |
| CHEMBL2001 | Q9H244 | Purinergic receptor P2Y12 | 85.85% | 96.00% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 85.76% | 90.93% |
| CHEMBL4394 | Q9NYA1 | Sphingosine kinase 1 | 85.65% | 96.03% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 85.38% | 94.75% |
| CHEMBL2443 | P49862 | Kallikrein 7 | 85.16% | 94.00% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 84.78% | 97.64% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.78% | 89.00% |
| CHEMBL325 | Q13547 | Histone deacetylase 1 | 84.45% | 95.92% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 83.89% | 96.47% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 83.74% | 91.19% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 83.42% | 95.56% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 82.93% | 82.69% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 81.89% | 92.50% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 81.72% | 94.33% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 81.52% | 97.14% |
| CHEMBL3784 | Q09472 | Histone acetyltransferase p300 | 81.01% | 93.33% |
| CHEMBL2492 | P36544 | Neuronal acetylcholine receptor protein alpha-7 subunit | 80.97% | 88.42% |
| CHEMBL4618 | P09960 | Leukotriene A4 hydrolase | 80.46% | 97.86% |
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 | 139589218 |
| LOTUS | LTS0133162 |
| wikiData | Q105281325 |