Aghardipeptin A
| Internal ID | 723340bb-b834-4ac8-861d-0265f24574f4 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Peptides > Cyclic peptides |
| IUPAC Name | 9-(1H-imidazol-5-ylmethyl)-3,18-bis(1H-indol-3-ylmethyl)-12-(2-methylpropyl)-1,4,7,10,13,16,19-heptazabicyclo[19.3.0]tetracosane-2,5,8,11,14,17,20-heptone |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C43H51N11O7/c1-24(2)14-32-41(59)52-34(17-27-20-44-23-49-27)40(58)48-22-38(56)51-35(16-26-19-46-31-11-6-4-9-29(26)31)43(61)54-13-7-12-36(54)42(60)53-33(39(57)47-21-37(55)50-32)15-25-18-45-30-10-5-3-8-28(25)30/h3-6,8-11,18-20,23-24,32-36,45-46H,7,12-17,21-22H2,1-2H3,(H,44,49)(H,47,57)(H,48,58)(H,50,55)(H,51,56)(H,52,59)(H,53,60) |
| InChI Key | RGZSNQSMWRPTNL-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C43H51N11O7 |
| Molecular Weight | 833.90 g/mol |
| Exact Mass | 833.39729301 g/mol |
| Topological Polar Surface Area (TPSA) | 255.00 Ų |
| XlogP | 2.20 |
| DTXSID401333789 |
| 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 | 99.21% | 98.95% |
| CHEMBL3524 | P56524 | Histone deacetylase 4 | 99.13% | 92.97% |
| CHEMBL333 | P08253 | Matrix metalloproteinase-2 | 98.96% | 96.31% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 98.48% | 85.14% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.97% | 96.09% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 97.82% | 97.64% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 97.43% | 88.56% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 97.33% | 91.49% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 97.00% | 90.08% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.12% | 91.11% |
| CHEMBL2095226 | P05556 | Integrin alpha-5/beta-1 | 94.78% | 96.39% |
| CHEMBL3155 | P34969 | Serotonin 7 (5-HT7) receptor | 93.17% | 90.71% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 93.08% | 94.75% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 93.06% | 83.82% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 92.08% | 98.59% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.98% | 95.56% |
| CHEMBL321 | P14780 | Matrix metalloproteinase 9 | 91.94% | 92.12% |
| CHEMBL264 | Q9Y5N1 | Histamine H3 receptor | 91.54% | 91.43% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 91.15% | 95.89% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 90.40% | 99.23% |
| CHEMBL3038469 | P24941 | CDK2/Cyclin A | 90.30% | 91.38% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 89.61% | 97.25% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 88.78% | 99.18% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 88.48% | 93.03% |
| CHEMBL5896 | O75164 | Lysine-specific demethylase 4A | 86.89% | 99.09% |
| CHEMBL2535 | P11166 | Glucose transporter | 86.28% | 98.75% |
| CHEMBL3830 | Q2M2I8 | Adaptor-associated kinase | 86.22% | 83.10% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 86.15% | 94.45% |
| CHEMBL228 | P31645 | Serotonin transporter | 86.01% | 95.51% |
| CHEMBL213 | P08588 | Beta-1 adrenergic receptor | 85.77% | 95.56% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.71% | 97.09% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 85.23% | 82.38% |
| CHEMBL6175 | Q9H3R0 | Lysine-specific demethylase 4C | 85.18% | 96.69% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.03% | 89.00% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 84.49% | 96.90% |
| CHEMBL1978 | P11511 | Cytochrome P450 19A1 | 84.42% | 91.76% |
| CHEMBL2443 | P49862 | Kallikrein 7 | 84.32% | 94.00% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 83.71% | 93.99% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 83.45% | 97.05% |
| CHEMBL2492 | P36544 | Neuronal acetylcholine receptor protein alpha-7 subunit | 83.21% | 88.42% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 82.68% | 94.00% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 82.67% | 93.40% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 82.15% | 95.62% |
| CHEMBL4073 | P09237 | Matrix metalloproteinase 7 | 80.74% | 97.56% |
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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| PubChem | 85246461 |
| LOTUS | LTS0076319 |
| wikiData | Q104196581 |