H-DL-Ala-Gly-DL-Leu-DL-Leu-DL-Asp-DL-xiIle-DL-Leu-Gly-DL-Leu-NH2
| Internal ID | df62c851-6084-4f01-b463-cf7a0a96bd73 |
| Taxonomy | Organic acids and derivatives > Peptidomimetics > Hybrid peptides |
| IUPAC Name | 4-[[1-[[1-[[2-[(1-amino-4-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-[[2-[[2-[[2-(2-aminopropanoylamino)acetyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-4-oxobutanoic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C41H74N10O11/c1-12-24(10)34(41(62)50-27(14-21(4)5)37(58)45-19-31(52)46-26(35(43)56)13-20(2)3)51-40(61)30(17-33(54)55)49-39(60)29(16-23(8)9)48-38(59)28(15-22(6)7)47-32(53)18-44-36(57)25(11)42/h20-30,34H,12-19,42H2,1-11H3,(H2,43,56)(H,44,57)(H,45,58)(H,46,52)(H,47,53)(H,48,59)(H,49,60)(H,50,62)(H,51,61)(H,54,55) |
| InChI Key | PILNVRHVUKUENI-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C41H74N10O11 |
| Molecular Weight | 883.10 g/mol |
| Exact Mass | 882.55385321 g/mol |
| Topological Polar Surface Area (TPSA) | 339.00 Ų |
| XlogP | -0.90 |
| 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 | 99.70% | 98.95% |
| CHEMBL236 | P41143 | Delta opioid receptor | 97.70% | 99.35% |
| CHEMBL4801 | P29466 | Caspase-1 | 97.60% | 96.85% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 97.23% | 90.17% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.26% | 96.09% |
| CHEMBL3837 | P07711 | Cathepsin L | 94.80% | 96.61% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 94.35% | 89.63% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 94.35% | 97.21% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 94.27% | 96.95% |
| CHEMBL3776 | Q14790 | Caspase-8 | 94.17% | 97.06% |
| CHEMBL2334 | P42574 | Caspase-3 | 94.15% | 98.25% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 94.07% | 100.00% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 93.48% | 93.56% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 91.86% | 100.00% |
| CHEMBL1907594 | P30926 | Neuronal acetylcholine receptor; alpha3/beta4 | 91.01% | 97.23% |
| CHEMBL4018 | P49146 | Neuropeptide Y receptor type 2 | 90.83% | 98.94% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 90.67% | 99.17% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 90.07% | 90.20% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 89.48% | 89.50% |
| CHEMBL4462 | Q8IXJ6 | NAD-dependent deacetylase sirtuin 2 | 88.97% | 90.24% |
| CHEMBL3308 | P55212 | Caspase-6 | 88.96% | 97.56% |
| CHEMBL2094135 | Q96BI3 | Gamma-secretase | 87.64% | 98.05% |
| CHEMBL5701 | Q9H2K8 | Serine/threonine-protein kinase TAO3 | 87.56% | 96.67% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 87.18% | 96.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 87.13% | 91.11% |
| CHEMBL5261 | Q7L7X3 | Serine/threonine-protein kinase TAO1 | 86.66% | 89.33% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 86.39% | 96.47% |
| CHEMBL3176 | O43603 | Galanin receptor 2 | 85.70% | 98.89% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 85.56% | 90.71% |
| CHEMBL3784 | Q09472 | Histone acetyltransferase p300 | 85.46% | 93.33% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 85.28% | 91.19% |
| CHEMBL4461 | Q9NTG7 | NAD-dependent deacetylase sirtuin 3 | 84.67% | 94.36% |
| CHEMBL5285 | Q99683 | Mitogen-activated protein kinase kinase kinase 5 | 84.61% | 92.26% |
| CHEMBL3468 | P55210 | Caspase-7 | 83.79% | 95.68% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 82.39% | 93.00% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 163021808 |
| LOTUS | LTS0084291 |
| wikiData | Q105209592 |