Nikkomycin QZ
| Internal ID | df2fdba7-6a74-442e-8813-cba94f38a4f9 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Peptides |
| IUPAC Name | (2R)-2-[[(2R)-2-[[(2S,3S,4R)-2-amino-4-hydroxy-4-(5-hydroxypyridin-2-yl)-3-methylbutanoyl]amino]-2-[(2R,3R,4S,5S)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]acetyl]amino]-4-hydroxybutanoic acid |
| SMILES (Canonical) | CC(C(C1=NC=C(C=C1)O)O)C(C(=O)NC(C2C(C(C(O2)N3C=CC(=O)NC3=O)O)O)C(=O)NC(CCO)C(=O)O)N |
| SMILES (Isomeric) | C[C@H]([C@H](C1=NC=C(C=C1)O)O)[C@@H](C(=O)N[C@H]([C@@H]2[C@@H]([C@@H]([C@H](O2)N3C=CC(=O)NC3=O)O)O)C(=O)N[C@H](CCO)C(=O)O)N |
| InChI | InChI=1S/C24H32N6O12/c1-9(16(34)11-3-2-10(32)8-26-11)14(25)20(37)29-15(21(38)27-12(5-7-31)23(39)40)19-17(35)18(36)22(42-19)30-6-4-13(33)28-24(30)41/h2-4,6,8-9,12,14-19,22,31-32,34-36H,5,7,25H2,1H3,(H,27,38)(H,29,37)(H,39,40)(H,28,33,41)/t9-,12+,14-,15+,16+,17+,18-,19+,22-/m0/s1 |
| InChI Key | QUPFUBWPUBLIHU-DDVQFXSFSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C24H32N6O12 |
| Molecular Weight | 596.50 g/mol |
| Exact Mass | 596.20782048 g/mol |
| Topological Polar Surface Area (TPSA) | 294.00 Ų |
| XlogP | -6.50 |
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 99.30% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 98.36% | 98.95% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 97.89% | 93.10% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 96.01% | 85.14% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.09% | 94.45% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 94.60% | 83.82% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 94.37% | 99.17% |
| CHEMBL3976 | Q9UHL4 | Dipeptidyl peptidase II | 93.30% | 92.29% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 92.46% | 90.71% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 90.90% | 95.93% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 89.39% | 93.56% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 86.96% | 98.59% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.86% | 95.56% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 86.25% | 99.23% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 86.01% | 94.73% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 85.83% | 99.15% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 85.64% | 95.89% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.68% | 89.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.94% | 95.89% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 83.34% | 100.00% |
| CHEMBL3392948 | Q9NP59 | Solute carrier family 40 member 1 | 81.86% | 95.00% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 81.42% | 94.62% |
| CHEMBL2535 | P11166 | Glucose transporter | 80.90% | 98.75% |
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 80.48% | 94.08% |
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 | 139589027 |
| LOTUS | LTS0121367 |
| wikiData | Q105228333 |