Nikkomycin Lx
| Internal ID | f0b50f78-fbc5-4b3f-b220-ff08c92dcf05 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Peptides |
| IUPAC Name | 2-[5-(5-acetyl-2-oxo-1H-imidazol-3-yl)-3,4-dihydroxyoxolan-2-yl]-2-[(2-amino-4-hydroxy-3-methyl-4-pyridin-2-ylbutanoyl)amino]acetic acid |
| SMILES (Canonical) | CC(C(C1=CC=CC=N1)O)C(C(=O)NC(C2C(C(C(O2)N3C=C(NC3=O)C(=O)C)O)O)C(=O)O)N |
| SMILES (Isomeric) | CC(C(C1=CC=CC=N1)O)C(C(=O)NC(C2C(C(C(O2)N3C=C(NC3=O)C(=O)C)O)O)C(=O)O)N |
| InChI | InChI=1S/C21H27N5O9/c1-8(14(28)10-5-3-4-6-23-10)12(22)18(31)25-13(20(32)33)17-15(29)16(30)19(35-17)26-7-11(9(2)27)24-21(26)34/h3-8,12-17,19,28-30H,22H2,1-2H3,(H,24,34)(H,25,31)(H,32,33) |
| InChI Key | ICXJRQHWJJTKQI-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C21H27N5O9 |
| Molecular Weight | 493.50 g/mol |
| Exact Mass | 493.18087746 g/mol |
| Topological Polar Surface Area (TPSA) | 225.00 Ų |
| XlogP | -5.20 |
| 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 |
|---|---|---|---|---|
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 99.30% | 83.82% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 99.20% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 98.42% | 98.95% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 97.57% | 85.14% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 91.93% | 94.73% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.57% | 95.56% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 90.03% | 99.23% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 89.82% | 89.00% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 89.01% | 93.10% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 88.09% | 100.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 86.78% | 91.11% |
| CHEMBL5028 | O14672 | ADAM10 | 83.76% | 97.50% |
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 82.92% | 94.08% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 82.85% | 90.71% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 82.58% | 98.59% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 82.23% | 93.56% |
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.
To see more specific details click the taxa you are interested in.
| There are no matching plants. |
| PubChem | 139588843 |
| LOTUS | LTS0029576 |
| wikiData | Q104168658 |