Nikkomycin Lz
| Internal ID | bfe84de0-817f-4c94-bf4d-59e122381cd2 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Peptides |
| IUPAC Name | 2-[(2-amino-4-hydroxy-3-methyl-4-pyridin-2-ylbutanoyl)amino]-2-[5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]acetic acid |
| SMILES (Canonical) | CC(C(C1=CC=CC=N1)O)C(C(=O)NC(C2C(C(C(O2)N3C=CC(=O)NC3=O)O)O)C(=O)O)N |
| SMILES (Isomeric) | CC(C(C1=CC=CC=N1)O)C(C(=O)NC(C2C(C(C(O2)N3C=CC(=O)NC3=O)O)O)C(=O)O)N |
| InChI | InChI=1S/C20H25N5O9/c1-8(13(27)9-4-2-3-6-22-9)11(21)17(30)24-12(19(31)32)16-14(28)15(29)18(34-16)25-7-5-10(26)23-20(25)33/h2-8,11-16,18,27-29H,21H2,1H3,(H,24,30)(H,31,32)(H,23,26,33) |
| InChI Key | HYBLVRJOBLCCCY-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C20H25N5O9 |
| Molecular Weight | 479.40 g/mol |
| Exact Mass | 479.16522739 g/mol |
| Topological Polar Surface Area (TPSA) | 225.00 Ų |
| XlogP | -5.20 |
| 2-[(2-Amino-4-hydroxy-3-methyl-4-pyridin-2-ylbutanoyl)amino]-2-[5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]acetic acid |
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 99.07% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 98.38% | 98.95% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 97.17% | 85.14% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 97.13% | 83.82% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 91.27% | 100.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 91.04% | 94.73% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 90.92% | 93.10% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 90.78% | 99.23% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.86% | 95.56% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.68% | 89.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 85.45% | 90.71% |
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 83.12% | 94.08% |
| CHEMBL5028 | O14672 | ADAM10 | 82.63% | 97.50% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 82.11% | 93.56% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 81.84% | 98.59% |
| CHEMBL2535 | P11166 | Glucose transporter | 80.40% | 98.75% |
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 | 13856319 |
| LOTUS | LTS0197372 |
| wikiData | Q77311045 |