Aeruginosin 205 A
| Internal ID | 3d4f9cd0-3028-4756-98ac-bf07cc290d3f |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Alpha amino acids and derivatives > Leucine and derivatives |
| IUPAC Name | [1-[[(2R,3S)-1-[6-chloro-2-[4-(diaminomethylideneamino)butylcarbamoyl]-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-4-methyl-1-oxo-3-[(3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxypentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl] hydrogen sulfate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C34H53ClN6O12S/c1-18(2)29(52-33-28(44)27(43)24(42)17-51-33)26(40-31(46)25(53-54(48,49)50)14-19-8-4-3-5-9-19)32(47)41-22-16-21(35)11-10-20(22)15-23(41)30(45)38-12-6-7-13-39-34(36)37/h3-5,8-9,18,20-29,33,42-44H,6-7,10-17H2,1-2H3,(H,38,45)(H,40,46)(H4,36,37,39)(H,48,49,50)/t20?,21?,22?,23?,24-,25?,26-,27+,28-,29+,33?/m1/s1 |
| InChI Key | DZCMECJEYSAXKP-AJTMMEQZSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C34H53ClN6O12S |
| Molecular Weight | 805.30 g/mol |
| Exact Mass | 804.3130700 g/mol |
| Topological Polar Surface Area (TPSA) | 294.00 Ų |
| XlogP | -0.30 |
| 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 | 99.86% | 98.95% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 99.49% | 83.82% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 99.10% | 96.09% |
| CHEMBL204 | P00734 | Thrombin | 98.91% | 96.01% |
| CHEMBL2179 | P04062 | Beta-glucocerebrosidase | 95.59% | 85.31% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 95.23% | 98.33% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.99% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.29% | 95.56% |
| CHEMBL5028 | O14672 | ADAM10 | 92.59% | 97.50% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 91.21% | 100.00% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 90.91% | 96.00% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 90.07% | 97.14% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 89.78% | 100.00% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 89.52% | 90.17% |
| CHEMBL4072 | P07858 | Cathepsin B | 89.37% | 93.67% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 89.23% | 97.64% |
| CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 87.91% | 95.83% |
| CHEMBL1744525 | P43490 | Nicotinamide phosphoribosyltransferase | 87.50% | 96.25% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 86.93% | 95.89% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 86.72% | 90.71% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 86.19% | 96.47% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 85.98% | 93.03% |
| CHEMBL3729 | P22748 | Carbonic anhydrase IV | 85.84% | 99.23% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.17% | 95.89% |
| CHEMBL4588 | P22894 | Matrix metalloproteinase 8 | 85.13% | 94.66% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.94% | 97.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.82% | 94.45% |
| CHEMBL2563 | Q9UQL6 | Histone deacetylase 5 | 84.66% | 89.67% |
| CHEMBL2327 | P21452 | Neurokinin 2 receptor | 84.63% | 98.89% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 84.47% | 97.21% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 83.28% | 93.56% |
| CHEMBL5701 | Q9H2K8 | Serine/threonine-protein kinase TAO3 | 83.15% | 96.67% |
| CHEMBL5678 | P34947 | G protein-coupled receptor kinase 5 | 82.84% | 88.00% |
| CHEMBL3891 | P07384 | Calpain 1 | 82.67% | 93.04% |
| CHEMBL2959 | Q08881 | Tyrosine-protein kinase ITK/TSK | 82.22% | 95.00% |
| CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 82.06% | 95.58% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 81.72% | 90.24% |
| CHEMBL3384 | Q16512 | Protein kinase N1 | 81.21% | 80.71% |
| CHEMBL5646 | Q6L5J4 | FML2_HUMAN | 80.74% | 100.00% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 80.51% | 91.19% |
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 | 139585583 |
| LOTUS | LTS0131409 |
| wikiData | Q77479362 |