Leu-Ala-Asp
| Internal ID | 352b4074-4873-40af-b8d8-dab48a5707a2 |
| 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]propanoyl]amino]butanedioic acid |
| SMILES (Canonical) | CC(C)CC(C(=O)NC(C)C(=O)NC(CC(=O)O)C(=O)O)N |
| SMILES (Isomeric) | C[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)O)NC(=O)[C@H](CC(C)C)N |
| InChI | InChI=1S/C13H23N3O6/c1-6(2)4-8(14)12(20)15-7(3)11(19)16-9(13(21)22)5-10(17)18/h6-9H,4-5,14H2,1-3H3,(H,15,20)(H,16,19)(H,17,18)(H,21,22)/t7-,8-,9-/m0/s1 |
| InChI Key | ZRLUISBDKUWAIZ-CIUDSAMLSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C13H23N3O6 |
| Molecular Weight | 317.34 g/mol |
| Exact Mass | 317.15868546 g/mol |
| Topological Polar Surface Area (TPSA) | 159.00 Ų |
| XlogP | -4.20 |
| L-leucyl-L-alanyl-L-aspartic acid |
| L-Leu-L-Ala-L-Asp |
| Leucyl-alanyl-aspartic acid |
| L-A-D |
| SCHEMBL17803183 |
| CHEBI:73524 |
| Q27140606 |
| 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 | 98.07% | 98.95% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 98.03% | 90.17% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 97.98% | 83.82% |
| CHEMBL236 | P41143 | Delta opioid receptor | 97.84% | 99.35% |
| CHEMBL3776 | Q14790 | Caspase-8 | 95.43% | 97.06% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 94.97% | 93.56% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 94.83% | 100.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.78% | 96.09% |
| CHEMBL3308 | P55212 | Caspase-6 | 93.73% | 97.56% |
| CHEMBL4801 | P29466 | Caspase-1 | 92.34% | 96.85% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 92.27% | 90.20% |
| CHEMBL3976 | Q9UHL4 | Dipeptidyl peptidase II | 91.37% | 92.29% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 88.77% | 90.93% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 88.15% | 96.47% |
| CHEMBL1907594 | P30926 | Neuronal acetylcholine receptor; alpha3/beta4 | 87.84% | 97.23% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 87.37% | 96.95% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 87.07% | 89.63% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 87.02% | 99.17% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 86.61% | 96.00% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 85.66% | 97.21% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 84.89% | 100.00% |
| CHEMBL4618 | P09960 | Leukotriene A4 hydrolase | 84.05% | 97.86% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 83.76% | 93.10% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 83.65% | 98.33% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 82.79% | 95.93% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 82.75% | 89.50% |
| CHEMBL2094135 | Q96BI3 | Gamma-secretase | 81.28% | 98.05% |
| CHEMBL2095164 | P49354 | Geranylgeranyl transferase type I | 81.22% | 92.80% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 80.78% | 90.71% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 80.33% | 91.19% |
| CHEMBL1907588 | P02708 | Acetylcholine receptor; alpha1/beta1/delta/gamma | 80.31% | 98.33% |
| CHEMBL3024 | P53350 | Serine/threonine-protein kinase PLK1 | 80.29% | 97.43% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| PubChem | 71464670 |
| LOTUS | LTS0077064 |
| wikiData | Q27140606 |