Leu-Val-Ser
| Internal ID | 2e2e5740-212a-4270-a9ef-faff2cc44b88 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Peptides > Oligopeptides |
| IUPAC Name | (2S)-2-[[(2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-3-methylbutanoyl]amino]-3-hydroxypropanoic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C14H27N3O5/c1-7(2)5-9(15)12(19)17-11(8(3)4)13(20)16-10(6-18)14(21)22/h7-11,18H,5-6,15H2,1-4H3,(H,16,20)(H,17,19)(H,21,22)/t9-,10-,11-/m0/s1 |
| InChI Key | VKVDRTGWLVZJOM-DCAQKATOSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C14H27N3O5 |
| Molecular Weight | 317.38 g/mol |
| Exact Mass | 317.19507097 g/mol |
| Topological Polar Surface Area (TPSA) | 142.00 Ų |
| XlogP | -4.10 |
| Atomic LogP (AlogP) | -0.94 |
| H-Bond Acceptor | 5 |
| H-Bond Donor | 5 |
| Rotatable Bonds | 9 |
| L-leucyl-L-valyl-L-serine |
| Leucyl-valyl-serine |
| LVS |
| L-Leu-L-Val-L-Ser |
| L-V-S |
| CHEBI:73578 |
| Q27141628 |
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| Human Intestinal Absorption | + | 0.8438 | 84.38% |
| Caco-2 | - | 0.8807 | 88.07% |
| Blood Brain Barrier | + | 0.7000 | 70.00% |
| Human oral bioavailability | - | 0.5714 | 57.14% |
| Subcellular localzation | Lysosomes | 0.4488 | 44.88% |
| OATP2B1 inhibitior | - | 0.8546 | 85.46% |
| OATP1B1 inhibitior | + | 0.9455 | 94.55% |
| OATP1B3 inhibitior | + | 0.9281 | 92.81% |
| MATE1 inhibitior | - | 0.9600 | 96.00% |
| OCT2 inhibitior | - | 0.9000 | 90.00% |
| BSEP inhibitior | - | 0.9663 | 96.63% |
| P-glycoprotein inhibitior | - | 0.8526 | 85.26% |
| P-glycoprotein substrate | - | 0.7038 | 70.38% |
| CYP3A4 substrate | - | 0.5936 | 59.36% |
| CYP2C9 substrate | + | 0.5936 | 59.36% |
| CYP2D6 substrate | - | 0.8285 | 82.85% |
| CYP3A4 inhibition | - | 0.7688 | 76.88% |
| CYP2C9 inhibition | - | 0.9307 | 93.07% |
| CYP2C19 inhibition | - | 0.8837 | 88.37% |
| CYP2D6 inhibition | - | 0.9323 | 93.23% |
| CYP1A2 inhibition | - | 0.9214 | 92.14% |
| CYP2C8 inhibition | - | 0.9717 | 97.17% |
| CYP inhibitory promiscuity | - | 0.9912 | 99.12% |
| UGT catelyzed | + | 0.6000 | 60.00% |
| Carcinogenicity (binary) | - | 0.7800 | 78.00% |
| Carcinogenicity (trinary) | Non-required | 0.6734 | 67.34% |
| Eye corrosion | - | 0.9700 | 97.00% |
| Eye irritation | - | 0.9822 | 98.22% |
| Skin irritation | - | 0.7960 | 79.60% |
| Skin corrosion | - | 0.9553 | 95.53% |
| Ames mutagenesis | - | 0.6900 | 69.00% |
| Human Ether-a-go-go-Related Gene inhibition | - | 0.7958 | 79.58% |
| Micronuclear | + | 0.5700 | 57.00% |
| Hepatotoxicity | - | 0.5291 | 52.91% |
| skin sensitisation | - | 0.9372 | 93.72% |
| Respiratory toxicity | + | 0.5889 | 58.89% |
| Reproductive toxicity | - | 0.6000 | 60.00% |
| Mitochondrial toxicity | + | 0.5375 | 53.75% |
| Nephrotoxicity | - | 0.5797 | 57.97% |
| Acute Oral Toxicity (c) | III | 0.5900 | 59.00% |
| Estrogen receptor binding | - | 0.4818 | 48.18% |
| Androgen receptor binding | - | 0.6365 | 63.65% |
| Thyroid receptor binding | - | 0.5204 | 52.04% |
| Glucocorticoid receptor binding | - | 0.6845 | 68.45% |
| Aromatase binding | - | 0.5824 | 58.24% |
| PPAR gamma | + | 0.5190 | 51.90% |
| Honey bee toxicity | - | 0.9669 | 96.69% |
| Biodegradation | - | 0.7000 | 70.00% |
| Crustacea aquatic toxicity | - | 0.8600 | 86.00% |
| Fish aquatic toxicity | - | 0.7289 | 72.89% |
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 | 97.91% | 98.95% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 96.30% | 93.56% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 94.10% | 83.82% |
| CHEMBL3976 | Q9UHL4 | Dipeptidyl peptidase II | 94.01% | 92.29% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 92.79% | 90.17% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.90% | 96.09% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 91.86% | 100.00% |
| CHEMBL236 | P41143 | Delta opioid receptor | 90.42% | 99.35% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 90.30% | 95.93% |
| CHEMBL3776 | Q14790 | Caspase-8 | 90.28% | 97.06% |
| CHEMBL2095164 | P49354 | Geranylgeranyl transferase type I | 89.21% | 92.80% |
| CHEMBL3308 | P55212 | Caspase-6 | 88.58% | 97.56% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 88.37% | 96.47% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 87.88% | 100.00% |
| CHEMBL4072 | P07858 | Cathepsin B | 87.52% | 93.67% |
| CHEMBL268 | P43235 | Cathepsin K | 86.95% | 96.85% |
| CHEMBL3468 | P55210 | Caspase-7 | 86.61% | 95.68% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 86.08% | 93.10% |
| CHEMBL3837 | P07711 | Cathepsin L | 85.75% | 96.61% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 85.75% | 98.33% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 84.46% | 96.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 83.89% | 99.17% |
| CHEMBL4394 | Q9NYA1 | Sphingosine kinase 1 | 83.71% | 96.03% |
| CHEMBL4822 | P56817 | Beta-secretase 1 | 83.54% | 97.35% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 82.44% | 89.50% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 82.34% | 94.33% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 81.85% | 98.10% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 81.72% | 90.71% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 81.70% | 94.45% |
| CHEMBL2094135 | Q96BI3 | Gamma-secretase | 81.66% | 98.05% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 81.09% | 97.21% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 80.82% | 95.56% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| PubChem | 9858135 |
| LOTUS | LTS0012777 |
| wikiData | Q27141628 |