L-Lysine-L-valine
| Internal ID | 36cdb221-5a07-4de9-b077-f849041e8fd9 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Peptides > Dipeptides |
| IUPAC Name | (2S)-2-[[(2S)-2,6-diaminohexanoyl]amino]-3-methylbutanoic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C11H23N3O3/c1-7(2)9(11(16)17)14-10(15)8(13)5-3-4-6-12/h7-9H,3-6,12-13H2,1-2H3,(H,14,15)(H,16,17)/t8-,9-/m0/s1 |
| InChI Key | YQAIUOWPSUOINN-IUCAKERBSA-N |
| Popularity | 11 references in papers |
| Molecular Formula | C11H23N3O3 |
| Molecular Weight | 245.32 g/mol |
| Exact Mass | 245.17394160 g/mol |
| Topological Polar Surface Area (TPSA) | 118.00 Ų |
| XlogP | -3.60 |
| Atomic LogP (AlogP) | -0.33 |
| H-Bond Acceptor | 4 |
| H-Bond Donor | 4 |
| Rotatable Bonds | 8 |
| H-Lys-Val-OH |
| lys-val |
| 20556-11-0 |
| L-lysyl-L-valine |
| Lysyl-Valine |
| CHEMBL208094 |
| ZB4A1U383X |
| CHEBI:73607 |
| (2S)-2-[[(2S)-2,6-diaminohexanoyl]amino]-3-methylbutanoic acid |
| L-Valine, L-lysyl- |
| There are more than 10 synonyms. If you wish to see them all click here. |
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| Human Intestinal Absorption | + | 0.8110 | 81.10% |
| Caco-2 | - | 0.8905 | 89.05% |
| Blood Brain Barrier | + | 0.7250 | 72.50% |
| Human oral bioavailability | + | 0.5857 | 58.57% |
| Subcellular localzation | Mitochondria | 0.6698 | 66.98% |
| OATP2B1 inhibitior | - | 0.8540 | 85.40% |
| OATP1B1 inhibitior | + | 0.9580 | 95.80% |
| OATP1B3 inhibitior | + | 0.9559 | 95.59% |
| MATE1 inhibitior | - | 0.9600 | 96.00% |
| OCT2 inhibitior | - | 0.9750 | 97.50% |
| BSEP inhibitior | - | 0.8968 | 89.68% |
| P-glycoprotein inhibitior | - | 0.9122 | 91.22% |
| P-glycoprotein substrate | - | 0.6558 | 65.58% |
| CYP3A4 substrate | - | 0.6123 | 61.23% |
| CYP2C9 substrate | + | 0.5905 | 59.05% |
| CYP2D6 substrate | - | 0.8183 | 81.83% |
| CYP3A4 inhibition | - | 0.9306 | 93.06% |
| CYP2C9 inhibition | - | 0.9525 | 95.25% |
| CYP2C19 inhibition | - | 0.9375 | 93.75% |
| CYP2D6 inhibition | - | 0.9728 | 97.28% |
| CYP1A2 inhibition | - | 0.9516 | 95.16% |
| CYP2C8 inhibition | - | 0.9828 | 98.28% |
| CYP inhibitory promiscuity | - | 0.9909 | 99.09% |
| UGT catelyzed | - | 0.0000 | 0.00% |
| Carcinogenicity (binary) | - | 0.7300 | 73.00% |
| Carcinogenicity (trinary) | Non-required | 0.6835 | 68.35% |
| Eye corrosion | - | 0.9779 | 97.79% |
| Eye irritation | - | 0.9863 | 98.63% |
| Skin irritation | - | 0.8335 | 83.35% |
| Skin corrosion | - | 0.9199 | 91.99% |
| Ames mutagenesis | - | 0.5654 | 56.54% |
| Human Ether-a-go-go-Related Gene inhibition | - | 0.7517 | 75.17% |
| Micronuclear | - | 0.5500 | 55.00% |
| Hepatotoxicity | - | 0.6841 | 68.41% |
| skin sensitisation | - | 0.9328 | 93.28% |
| Respiratory toxicity | + | 0.6667 | 66.67% |
| Reproductive toxicity | - | 0.6294 | 62.94% |
| Mitochondrial toxicity | - | 0.5250 | 52.50% |
| Nephrotoxicity | + | 0.4908 | 49.08% |
| Acute Oral Toxicity (c) | III | 0.6497 | 64.97% |
| Estrogen receptor binding | - | 0.7686 | 76.86% |
| Androgen receptor binding | - | 0.7472 | 74.72% |
| Thyroid receptor binding | - | 0.5842 | 58.42% |
| Glucocorticoid receptor binding | + | 0.5607 | 56.07% |
| Aromatase binding | - | 0.8212 | 82.12% |
| PPAR gamma | - | 0.6855 | 68.55% |
| Honey bee toxicity | - | 0.9852 | 98.52% |
| Biodegradation | - | 0.5500 | 55.00% |
| Crustacea aquatic toxicity | - | 0.7700 | 77.00% |
| Fish aquatic toxicity | - | 0.7432 | 74.32% |
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 | 96.35% | 96.09% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 95.93% | 97.21% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.24% | 98.95% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 93.42% | 83.82% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 93.29% | 93.56% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 92.24% | 100.00% |
| CHEMBL3976 | Q9UHL4 | Dipeptidyl peptidase II | 91.15% | 92.29% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 90.97% | 99.17% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 90.24% | 100.00% |
| CHEMBL3776 | Q14790 | Caspase-8 | 89.14% | 97.06% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 88.60% | 96.47% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 88.20% | 90.24% |
| CHEMBL4581 | P52732 | Kinesin-like protein 1 | 87.56% | 93.18% |
| CHEMBL3308 | P55212 | Caspase-6 | 87.07% | 97.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 86.46% | 94.45% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 85.59% | 90.20% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 85.35% | 89.50% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 85.28% | 96.95% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 85.04% | 98.33% |
| CHEMBL2885 | P07451 | Carbonic anhydrase III | 84.43% | 87.45% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 83.84% | 97.29% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 82.80% | 91.11% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 82.67% | 94.33% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 82.03% | 90.71% |
| CHEMBL1907594 | P30926 | Neuronal acetylcholine receptor; alpha3/beta4 | 81.78% | 97.23% |
| CHEMBL3437 | Q16853 | Amine oxidase, copper containing | 81.49% | 94.00% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 81.49% | 100.00% |
| CHEMBL4816 | Q9Y243 | Serine/threonine-protein kinase AKT3 | 80.85% | 96.28% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 80.66% | 96.00% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| PubChem | 6992341 |
| LOTUS | LTS0274130 |
| wikiData | Q27141916 |