Jbir-56
| Internal ID | 9c417f1c-b591-4b29-bcfa-fe921046255d |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Peptides > Dipeptides |
| IUPAC Name | (2S)-2-[[2-[(2-ethyl-6-oxo-5-propan-2-yl-1H-pyrazine-3-carbonyl)amino]-4-methylpentanoyl]amino]propanoic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C19H30N4O5/c1-7-12-15(23-14(10(4)5)17(25)21-12)18(26)22-13(8-9(2)3)16(24)20-11(6)19(27)28/h9-11,13H,7-8H2,1-6H3,(H,20,24)(H,21,25)(H,22,26)(H,27,28)/t11-,13?/m0/s1 |
| InChI Key | XNVDHFYDNXAOFB-AMGKYWFPSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C19H30N4O5 |
| Molecular Weight | 394.50 g/mol |
| Exact Mass | 394.22162007 g/mol |
| Topological Polar Surface Area (TPSA) | 137.00 Ų |
| XlogP | 1.70 |
| 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 |
|---|---|---|---|---|
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 98.71% | 90.17% |
| CHEMBL3837 | P07711 | Cathepsin L | 97.36% | 96.61% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.34% | 98.95% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 96.92% | 93.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.30% | 96.09% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 92.08% | 89.63% |
| CHEMBL4072 | P07858 | Cathepsin B | 90.95% | 93.67% |
| CHEMBL3976 | Q9UHL4 | Dipeptidyl peptidase II | 89.48% | 92.29% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 88.86% | 85.14% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 87.99% | 99.23% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 87.92% | 100.00% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 86.99% | 96.38% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 86.91% | 99.17% |
| CHEMBL5979 | P05186 | Alkaline phosphatase, tissue-nonspecific isozyme | 83.59% | 85.40% |
| CHEMBL202 | P00374 | Dihydrofolate reductase | 83.40% | 89.92% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 83.29% | 90.71% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 83.29% | 96.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 83.00% | 94.45% |
| CHEMBL2095164 | P49354 | Geranylgeranyl transferase type I | 81.45% | 92.80% |
| CHEMBL3308 | P55212 | Caspase-6 | 81.21% | 97.56% |
| CHEMBL1781 | P11387 | DNA topoisomerase I | 80.29% | 97.00% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 80.20% | 96.90% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 80.12% | 93.10% |
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 | 139584981 |
| LOTUS | LTS0127000 |
| wikiData | Q103788991 |