Anabaenopeptin SA1
| Internal ID | 383ae616-a4e5-4c8b-856f-0879f6ab4cb4 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Peptides > Cyclic peptides |
| IUPAC Name | (2S)-2-[[(3S,6S,9S,12R,15R)-6-(2-amino-2-oxoethyl)-3-benzyl-12-[(2S)-butan-2-yl]-7-methyl-2,5,8,11,14-pentaoxo-9-(3-phenylpropyl)-1,4,7,10,13-pentazacyclononadec-15-yl]carbamoylamino]-5-(diaminomethylideneamino)pentanoic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C44H65N11O9/c1-4-27(2)36-40(60)50-31(21-13-19-28-15-7-5-8-16-28)41(61)55(3)34(26-35(45)56)39(59)51-33(25-29-17-9-6-10-18-29)37(57)48-23-12-11-20-30(38(58)54-36)52-44(64)53-32(42(62)63)22-14-24-49-43(46)47/h5-10,15-18,27,30-34,36H,4,11-14,19-26H2,1-3H3,(H2,45,56)(H,48,57)(H,50,60)(H,51,59)(H,54,58)(H,62,63)(H4,46,47,49)(H2,52,53,64)/t27-,30+,31-,32-,33-,34-,36+/m0/s1 |
| InChI Key | VZGKHWSNGYZZFL-CFRIRIKTSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C44H65N11O9 |
| Molecular Weight | 892.10 g/mol |
| Exact Mass | 891.49667269 g/mol |
| Topological Polar Surface Area (TPSA) | 323.00 Ų |
| XlogP | 1.30 |
| DTXSID101098091 |
| 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% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 99.54% | 96.09% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 98.15% | 83.82% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 97.45% | 94.45% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 97.05% | 90.17% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 96.86% | 95.93% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 96.62% | 93.00% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 94.26% | 93.56% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 93.73% | 97.64% |
| CHEMBL2492 | P36544 | Neuronal acetylcholine receptor protein alpha-7 subunit | 93.52% | 88.42% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.73% | 97.09% |
| CHEMBL4072 | P07858 | Cathepsin B | 92.61% | 93.67% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 92.44% | 90.71% |
| CHEMBL3392948 | Q9NP59 | Solute carrier family 40 member 1 | 92.40% | 95.00% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 91.61% | 98.33% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 89.83% | 90.08% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 89.46% | 91.11% |
| CHEMBL236 | P41143 | Delta opioid receptor | 88.99% | 99.35% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.44% | 95.56% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 88.41% | 96.47% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.33% | 86.33% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 87.82% | 98.59% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 86.78% | 93.03% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 86.61% | 100.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.11% | 95.89% |
| CHEMBL204 | P00734 | Thrombin | 84.96% | 96.01% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 84.83% | 99.17% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 84.79% | 94.62% |
| CHEMBL1293287 | P14735 | Insulin-degrading enzyme | 84.35% | 88.10% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 83.28% | 100.00% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 82.23% | 95.50% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 81.95% | 100.00% |
| CHEMBL2327 | P21452 | Neurokinin 2 receptor | 81.75% | 98.89% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 81.70% | 92.88% |
| CHEMBL4616 | Q92847 | Ghrelin receptor | 80.99% | 92.00% |
| CHEMBL3004 | P33527 | Multidrug resistance-associated protein 1 | 80.54% | 96.37% |
| CHEMBL4979 | P13866 | Sodium/glucose cotransporter 1 | 80.40% | 98.24% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| PubChem | 146684904 |
| LOTUS | LTS0202629 |
| wikiData | Q105299760 |