Leucyl-3-epi-deoxynegamycin
| Internal ID | 4a160750-22ae-45f4-a6d5-53bcbae42e14 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Alpha amino acids and derivatives |
| IUPAC Name | 2-[[[(3S)-6-amino-3-[[(2S)-2-amino-4-methylpentanoyl]amino]hexanoyl]amino]-methylamino]acetic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C15H31N5O4/c1-10(2)7-12(17)15(24)18-11(5-4-6-16)8-13(21)19-20(3)9-14(22)23/h10-12H,4-9,16-17H2,1-3H3,(H,18,24)(H,19,21)(H,22,23)/t11-,12-/m0/s1 |
| InChI Key | DOTQAYWMWCUEBC-RYUDHWBXSA-N |
| Popularity | 4 references in papers |
| Molecular Formula | C15H31N5O4 |
| Molecular Weight | 345.44 g/mol |
| Exact Mass | 345.23760449 g/mol |
| Topological Polar Surface Area (TPSA) | 151.00 Ų |
| XlogP | -3.00 |
| CHEMBL4159899 |
| SCHEMBL16280592 |
| 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 | 98.20% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.59% | 96.09% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 96.04% | 96.95% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 95.40% | 90.20% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 94.68% | 96.47% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 93.97% | 90.17% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 93.34% | 97.21% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 93.27% | 99.17% |
| CHEMBL3976 | Q9UHL4 | Dipeptidyl peptidase II | 93.11% | 92.29% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 92.02% | 93.56% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 90.75% | 83.82% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 90.21% | 100.00% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 89.34% | 100.00% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 89.28% | 91.19% |
| CHEMBL2094135 | Q96BI3 | Gamma-secretase | 88.70% | 98.05% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 88.30% | 98.10% |
| CHEMBL4618 | P09960 | Leukotriene A4 hydrolase | 87.24% | 97.86% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 86.64% | 89.63% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 86.28% | 90.24% |
| CHEMBL3776 | Q14790 | Caspase-8 | 86.12% | 97.06% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 85.94% | 97.29% |
| CHEMBL236 | P41143 | Delta opioid receptor | 85.38% | 99.35% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 84.69% | 90.71% |
| CHEMBL3837 | P07711 | Cathepsin L | 84.08% | 96.61% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 83.93% | 94.33% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 82.63% | 96.90% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 82.59% | 98.75% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 82.48% | 98.33% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 82.21% | 93.00% |
| CHEMBL3308 | P55212 | Caspase-6 | 82.09% | 97.56% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 81.80% | 96.00% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 81.28% | 93.10% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 80.11% | 95.71% |
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 | 102439777 |
| LOTUS | LTS0093421 |
| wikiData | Q104986192 |