isovaleryl-D-Val-D-Val-Sta(3S,4R)-D-Ala-D-Leu-Me
| Internal ID | 204ffef5-e0ef-4ba2-a2d4-ab1089a53cf6 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Peptides |
| IUPAC Name | (3S,4R)-3-hydroxy-6-methyl-4-[[(2R)-3-methyl-2-[[(2R)-3-methyl-2-(3-methylbutanoylamino)butanoyl]amino]butanoyl]amino]-N-[(2R)-1-[[(3R)-5-methyl-2-oxohexan-3-yl]amino]-1-oxopropan-2-yl]heptanamide |
| SMILES (Canonical) | CC(C)CC(C(CC(=O)NC(C)C(=O)NC(CC(C)C)C(=O)C)O)NC(=O)C(C(C)C)NC(=O)C(C(C)C)NC(=O)CC(C)C |
| SMILES (Isomeric) | C[C@H](C(=O)N[C@H](CC(C)C)C(=O)C)NC(=O)C[C@@H]([C@@H](CC(C)C)NC(=O)[C@@H](C(C)C)NC(=O)[C@@H](C(C)C)NC(=O)CC(C)C)O |
| InChI | InChI=1S/C33H61N5O7/c1-17(2)13-24(23(12)39)35-31(43)22(11)34-28(42)16-26(40)25(14-18(3)4)36-32(44)30(21(9)10)38-33(45)29(20(7)8)37-27(41)15-19(5)6/h17-22,24-26,29-30,40H,13-16H2,1-12H3,(H,34,42)(H,35,43)(H,36,44)(H,37,41)(H,38,45)/t22-,24-,25-,26+,29-,30-/m1/s1 |
| InChI Key | JHANZTUCBUPMAQ-GAPDWFLPSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C33H61N5O7 |
| Molecular Weight | 639.90 g/mol |
| Exact Mass | 639.45709930 g/mol |
| Topological Polar Surface Area (TPSA) | 183.00 Ų |
| XlogP | 3.80 |
| 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 99.59% | 98.95% |
| CHEMBL2094135 | Q96BI3 | Gamma-secretase | 96.65% | 98.05% |
| CHEMBL3776 | Q14790 | Caspase-8 | 96.16% | 97.06% |
| CHEMBL3468 | P55210 | Caspase-7 | 95.96% | 95.68% |
| CHEMBL3308 | P55212 | Caspase-6 | 95.85% | 97.56% |
| CHEMBL3837 | P07711 | Cathepsin L | 93.84% | 96.61% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 93.47% | 100.00% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 91.37% | 93.56% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 90.02% | 97.21% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 89.95% | 90.17% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 88.92% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 87.44% | 99.17% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 86.82% | 96.47% |
| CHEMBL2095164 | P49354 | Geranylgeranyl transferase type I | 86.64% | 92.80% |
| CHEMBL4801 | P29466 | Caspase-1 | 86.34% | 96.85% |
| CHEMBL1907594 | P30926 | Neuronal acetylcholine receptor; alpha3/beta4 | 86.00% | 97.23% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 85.28% | 96.00% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 84.87% | 98.33% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 84.71% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 84.58% | 85.14% |
| CHEMBL283 | P08254 | Matrix metalloproteinase 3 | 84.48% | 97.29% |
| CHEMBL4822 | P56817 | Beta-secretase 1 | 83.43% | 97.35% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 83.39% | 97.29% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 82.89% | 93.10% |
| CHEMBL3976 | Q9UHL4 | Dipeptidyl peptidase II | 82.11% | 92.29% |
| CHEMBL1801 | P00747 | Plasminogen | 81.67% | 92.44% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 81.19% | 89.50% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 81.13% | 100.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 80.96% | 94.45% |
| CHEMBL5261 | Q7L7X3 | Serine/threonine-protein kinase TAO1 | 80.36% | 89.33% |
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 | 139589194 |
| LOTUS | LTS0086092 |
| wikiData | Q105127818 |