H-DL-Trp-DL-Leu-DL-Val-DL-xiThr-bAib-DL-Leu-DL-Leu-DL-Ala-DL-Val-DL-Ala-OH
| Internal ID | 71b06b04-e069-49ce-a069-003da921ef5f |
| Taxonomy | Organic acids and derivatives > Peptidomimetics > Hybrid peptides |
| IUPAC Name | 2-[[2-[2-[[2-[[2-[[3-[[2-[[2-[[2-[[2-amino-3-(1H-indol-3-yl)propanoyl]amino]-4-methylpentanoyl]amino]-3-methylbutanoyl]amino]-3-hydroxybutanoyl]amino]-2-methylpropanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]propanoylamino]-3-methylbutanoyl]amino]propanoic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C53H87N11O12/c1-25(2)19-38(47(69)57-31(12)45(67)62-41(28(7)8)51(73)58-32(13)53(75)76)61-48(70)39(20-26(3)4)59-44(66)30(11)23-56-50(72)43(33(14)65)64-52(74)42(29(9)10)63-49(71)40(21-27(5)6)60-46(68)36(54)22-34-24-55-37-18-16-15-17-35(34)37/h15-18,24-33,36,38-43,55,65H,19-23,54H2,1-14H3,(H,56,72)(H,57,69)(H,58,73)(H,59,66)(H,60,68)(H,61,70)(H,62,67)(H,63,71)(H,64,74)(H,75,76) |
| InChI Key | YAGDDBBKSNUSSG-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C53H87N11O12 |
| Molecular Weight | 1070.30 g/mol |
| Exact Mass | 1069.65356725 g/mol |
| Topological Polar Surface Area (TPSA) | 361.00 Ų |
| XlogP | 0.50 |
| 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 | 99.78% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.94% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.56% | 96.09% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 96.78% | 90.17% |
| CHEMBL3837 | P07711 | Cathepsin L | 96.58% | 96.61% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.28% | 95.56% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 94.03% | 90.20% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 92.97% | 100.00% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 92.50% | 93.56% |
| CHEMBL3830 | Q2M2I8 | Adaptor-associated kinase | 91.83% | 83.10% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 91.59% | 83.82% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 91.06% | 98.33% |
| CHEMBL1907594 | P30926 | Neuronal acetylcholine receptor; alpha3/beta4 | 90.70% | 97.23% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 89.74% | 96.00% |
| CHEMBL3308 | P55212 | Caspase-6 | 89.59% | 97.56% |
| CHEMBL213 | P08588 | Beta-1 adrenergic receptor | 88.51% | 95.56% |
| CHEMBL2095164 | P49354 | Geranylgeranyl transferase type I | 88.32% | 92.80% |
| CHEMBL222 | P23975 | Norepinephrine transporter | 86.73% | 96.06% |
| CHEMBL2431 | P31751 | Serine/threonine-protein kinase AKT2 | 86.68% | 98.33% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 86.65% | 90.24% |
| CHEMBL3976 | Q9UHL4 | Dipeptidyl peptidase II | 85.82% | 92.29% |
| CHEMBL5028 | O14672 | ADAM10 | 85.45% | 97.50% |
| CHEMBL2535 | P11166 | Glucose transporter | 85.26% | 98.75% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 84.75% | 88.56% |
| CHEMBL3776 | Q14790 | Caspase-8 | 83.53% | 97.06% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.38% | 97.09% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 82.91% | 100.00% |
| CHEMBL1287628 | Q9Y5S8 | NADPH oxidase 1 | 82.51% | 95.48% |
| CHEMBL4816 | Q9Y243 | Serine/threonine-protein kinase AKT3 | 81.99% | 96.28% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 81.40% | 89.62% |
| CHEMBL3176 | O43603 | Galanin receptor 2 | 81.13% | 98.89% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 81.09% | 89.63% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 80.10% | 100.00% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 162815578 |
| LOTUS | LTS0074697 |
| wikiData | Q104201509 |