Nikkomycin X
| Internal ID | 213d0bc9-28d0-47d1-a104-15f2dcdf073e |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Peptides > Dipeptides |
| IUPAC Name | 2-[[2-amino-4-hydroxy-4-(5-hydroxypyridin-2-yl)-3-methylbutanoyl]amino]-2-[5-(5-formyl-2-oxo-1H-imidazol-3-yl)-3,4-dihydroxyoxolan-2-yl]acetic acid |
| SMILES (Canonical) | CC(C(C1=NC=C(C=C1)O)O)C(C(=O)NC(C2C(C(C(O2)N3C=C(NC3=O)C=O)O)O)C(=O)O)N |
| SMILES (Isomeric) | CC(C(C1=NC=C(C=C1)O)O)C(C(=O)NC(C2C(C(C(O2)N3C=C(NC3=O)C=O)O)O)C(=O)O)N |
| InChI | InChI=1S/C20H25N5O10/c1-7(13(28)10-3-2-9(27)4-22-10)11(21)17(31)24-12(19(32)33)16-14(29)15(30)18(35-16)25-5-8(6-26)23-20(25)34/h2-7,11-16,18,27-30H,21H2,1H3,(H,23,34)(H,24,31)(H,32,33) |
| InChI Key | AYXHZRVSIUJLAE-UHFFFAOYSA-N |
| Popularity | 10 references in papers |
| Molecular Formula | C20H25N5O10 |
| Molecular Weight | 495.40 g/mol |
| Exact Mass | 495.16014201 g/mol |
| Topological Polar Surface Area (TPSA) | 245.00 Ų |
| XlogP | -5.80 |
| Nikkomycin X |
| 2-[[2-amino-4-hydroxy-4-(5-hydroxypyridin-2-yl)-3-methylbutanoyl]amino]-2-[5-(5-formyl-2-oxo-1H-imidazol-3-yl)-3,4-dihydroxyoxolan-2-yl]acetic acid |
| BRN 0873576 |
| DTXSID10993651 |
| beta-D-Allofuranuronic acid, 5-((2-amino-4-hydroxy-4-(5-hydroxy-2-pyridinyl)-3-methyl-1-oxobutyl)amino)-1,5-dideoxy-1-(4-formyl-2,3-dihydro-2-oxo-1H-imidazol-1-yl)-, (2S-(2R*,3R*,4R*))- |
| 1-(5-{[2-Amino-1,4-dihydroxy-4-(5-hydroxypyridin-2-yl)-3-methylbutylidene]amino}-5-deoxyhexofuranuronosyl)-2-hydroxy-1H-imidazole-4-carbaldehyde |
| 75044-69-8 |
| 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 | 98.48% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.69% | 98.95% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 95.78% | 85.14% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.27% | 95.56% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 94.81% | 83.82% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.43% | 94.45% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 90.16% | 93.10% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 89.45% | 90.71% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 89.28% | 99.23% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 89.14% | 94.73% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.01% | 89.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 88.01% | 99.17% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.97% | 95.89% |
| CHEMBL3976 | Q9UHL4 | Dipeptidyl peptidase II | 87.49% | 92.29% |
| CHEMBL2345 | P51812 | Ribosomal protein S6 kinase alpha 3 | 86.74% | 95.64% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 84.92% | 90.00% |
| CHEMBL220 | P22303 | Acetylcholinesterase | 83.98% | 94.45% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 82.81% | 93.56% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 82.58% | 90.08% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 81.99% | 91.11% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 81.87% | 99.15% |
| CHEMBL2535 | P11166 | Glucose transporter | 81.78% | 98.75% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 81.34% | 100.00% |
| CHEMBL5678 | P34947 | G protein-coupled receptor kinase 5 | 80.15% | 88.00% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 194647 |
| LOTUS | LTS0071463 |
| wikiData | Q82984368 |