H-DL-Asn-DL-Ala-DL-Asp-Gly-DL-xiThr-DL-Lys-OH
| Internal ID | 9ed1bf8d-c65b-4e4e-8fae-87895da4f627 |
| Taxonomy | Organic acids and derivatives > Peptidomimetics > Hybrid peptides |
| IUPAC Name | 6-amino-2-[[2-[[2-[[3-carboxy-2-[2-[(2,4-diamino-4-oxobutanoyl)amino]propanoylamino]propanoyl]amino]acetyl]amino]-3-hydroxybutanoyl]amino]hexanoic acid |
| SMILES (Canonical) | CC(C(C(=O)NC(CCCCN)C(=O)O)NC(=O)CNC(=O)C(CC(=O)O)NC(=O)C(C)NC(=O)C(CC(=O)N)N)O |
| SMILES (Isomeric) | CC(C(C(=O)NC(CCCCN)C(=O)O)NC(=O)CNC(=O)C(CC(=O)O)NC(=O)C(C)NC(=O)C(CC(=O)N)N)O |
| InChI | InChI=1S/C23H40N8O11/c1-10(28-20(38)12(25)7-15(26)33)19(37)30-14(8-17(35)36)21(39)27-9-16(34)31-18(11(2)32)22(40)29-13(23(41)42)5-3-4-6-24/h10-14,18,32H,3-9,24-25H2,1-2H3,(H2,26,33)(H,27,39)(H,28,38)(H,29,40)(H,30,37)(H,31,34)(H,35,36)(H,41,42) |
| InChI Key | ZCNYWXQQIZLTIM-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C23H40N8O11 |
| Molecular Weight | 604.60 g/mol |
| Exact Mass | 604.28165412 g/mol |
| Topological Polar Surface Area (TPSA) | 336.00 Ų |
| XlogP | -10.20 |
| 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 |
|---|---|---|---|---|
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 99.82% | 83.82% |
| CHEMBL236 | P41143 | Delta opioid receptor | 99.62% | 99.35% |
| CHEMBL2581 | P07339 | Cathepsin D | 99.40% | 98.95% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 98.78% | 90.17% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 98.48% | 90.20% |
| CHEMBL1907594 | P30926 | Neuronal acetylcholine receptor; alpha3/beta4 | 97.23% | 97.23% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 96.88% | 97.21% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 96.79% | 100.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.60% | 96.09% |
| CHEMBL3776 | Q14790 | Caspase-8 | 96.56% | 97.06% |
| CHEMBL4018 | P49146 | Neuropeptide Y receptor type 2 | 96.39% | 98.94% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 95.84% | 89.63% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 94.69% | 96.00% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 94.68% | 100.00% |
| CHEMBL3038469 | P24941 | CDK2/Cyclin A | 94.06% | 91.38% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 93.36% | 93.56% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 92.91% | 99.17% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.84% | 91.11% |
| CHEMBL3308 | P55212 | Caspase-6 | 92.23% | 97.56% |
| CHEMBL3176 | O43603 | Galanin receptor 2 | 92.13% | 98.89% |
| CHEMBL4625 | Q07817 | Apoptosis regulator Bcl-X | 91.58% | 99.77% |
| CHEMBL2094135 | Q96BI3 | Gamma-secretase | 91.50% | 98.05% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 90.87% | 98.33% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 90.38% | 96.47% |
| CHEMBL4816 | Q9Y243 | Serine/threonine-protein kinase AKT3 | 90.20% | 96.28% |
| CHEMBL2885 | P07451 | Carbonic anhydrase III | 90.17% | 87.45% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 89.06% | 95.17% |
| CHEMBL4777 | P25929 | Neuropeptide Y receptor type 1 | 88.71% | 96.67% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 88.55% | 95.71% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 88.50% | 97.29% |
| CHEMBL3976 | Q9UHL4 | Dipeptidyl peptidase II | 87.77% | 92.29% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.05% | 94.45% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 87.00% | 89.50% |
| CHEMBL3018 | Q9Y5Y6 | Matriptase | 86.55% | 98.33% |
| CHEMBL4801 | P29466 | Caspase-1 | 86.26% | 96.85% |
| CHEMBL3629 | P68400 | Casein kinase II alpha | 85.79% | 98.89% |
| CHEMBL5701 | Q9H2K8 | Serine/threonine-protein kinase TAO3 | 85.47% | 96.67% |
| CHEMBL2973 | O75116 | Rho-associated protein kinase 2 | 85.41% | 96.73% |
| CHEMBL4394 | Q9NYA1 | Sphingosine kinase 1 | 85.37% | 96.03% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 85.30% | 93.00% |
| CHEMBL2492 | P36544 | Neuronal acetylcholine receptor protein alpha-7 subunit | 85.20% | 88.42% |
| CHEMBL5852 | Q96P65 | Pyroglutamylated RFamide peptide receptor | 85.19% | 85.00% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 84.44% | 96.95% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 84.20% | 90.71% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 84.05% | 95.50% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 84.01% | 100.00% |
| CHEMBL3437 | Q16853 | Amine oxidase, copper containing | 83.59% | 94.00% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 82.94% | 94.33% |
| CHEMBL2072 | P35499 | Sodium channel protein type IV alpha subunit | 82.74% | 92.32% |
| CHEMBL249 | P25103 | Neurokinin 1 receptor | 82.54% | 99.17% |
| CHEMBL4071 | P08311 | Cathepsin G | 82.06% | 94.64% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 80.51% | 93.10% |
| CHEMBL4581 | P52732 | Kinesin-like protein 1 | 80.50% | 93.18% |
| CHEMBL3784 | Q09472 | Histone acetyltransferase p300 | 80.08% | 93.33% |
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.
| Phytolacca americana |
| PubChem | 162914015 |
| LOTUS | LTS0139386 |
| wikiData | Q105371291 |