1-Methylethyl)-6,9,12,15,18-pentaoxo-17-oxa-7,10,13-triazaoctadec-1-yl]-
| Internal ID | 44f1f77d-bbe2-4080-beea-9fe09e687e68 |
| Taxonomy | Organic acids and derivatives > Peptidomimetics > Hybrid peptides |
| IUPAC Name | (4S)-4-[6-[[(2S)-2-[[(2S)-6-[5-[(3aR,4R,6aS)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]-2-acetamidohexanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]hexanoylamino]-5-[[(2S)-1-[[(2S)-1-carboxy-4-(2,6-dimethylbenzoyl)oxy-3-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C57H81N9O16S/c1-32(2)50(55(79)62-40(29-48(74)75)43(69)30-82-56(80)49-33(3)14-13-15-34(49)4)65-54(78)39(24-25-47(72)73)61-46(71)19-7-6-11-27-59-52(76)41(28-36-20-22-37(68)23-21-36)63-53(77)38(60-35(5)67)16-10-12-26-58-45(70)18-9-8-17-44-51-42(31-83-44)64-57(81)66-51/h13-15,20-23,32,38-42,44,50-51,68H,6-12,16-19,24-31H2,1-5H3,(H,58,70)(H,59,76)(H,60,67)(H,61,71)(H,62,79)(H,63,77)(H,65,78)(H,72,73)(H,74,75)(H2,64,66,81)/t38-,39-,40-,41-,42+,44+,50-,51+/m0/s1 |
| InChI Key | ZLOJFUCNXMJJTE-CTTUAFGTSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C57H81N9O16S |
| Molecular Weight | 1180.40 g/mol |
| Exact Mass | 1179.55219870 g/mol |
| Topological Polar Surface Area (TPSA) | 408.00 Ų |
| XlogP | 2.70 |
| L-tyrosinamide, N~2~-acetyl-N~6~-[5-[(3aR,4R,6aS)-hexahydro-2-oxo-1H-thieno[3,4-d]imidazol-4-yl]-1-oxopentyl]-L-lysyl-N-[(8S,11S,14S)-8-(2-carboxyethyl)-14-(carboxymethyl)-18-(2,6-dimethylphenyl)-11-( |
![2D Structure of 1-Methylethyl)-6,9,12,15,18-pentaoxo-17-oxa-7,10,13-triazaoctadec-1-yl]-](https://plantaedb.com/storage/docs/compounds/2023/11/1-methylethyl-69121518-pentaoxo-17-oxa-71013-triazaoctadec-1-yl-.jpg "2D Structure of 1-Methylethyl)-6,9,12,15,18-pentaoxo-17-oxa-7,10,13-triazaoctadec-1-yl]-")
| 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 | 99.99% | 98.95% |
| CHEMBL1907594 | P30926 | Neuronal acetylcholine receptor; alpha3/beta4 | 99.13% | 97.23% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 98.79% | 99.17% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.73% | 91.11% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 97.70% | 90.08% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.53% | 96.09% |
| CHEMBL3776 | Q14790 | Caspase-8 | 96.84% | 97.06% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 96.34% | 93.00% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 96.30% | 94.75% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.81% | 94.45% |
| CHEMBL2535 | P11166 | Glucose transporter | 95.80% | 98.75% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 95.73% | 97.21% |
| CHEMBL2179 | P04062 | Beta-glucocerebrosidase | 95.46% | 85.31% |
| CHEMBL216 | P11229 | Muscarinic acetylcholine receptor M1 | 95.31% | 94.23% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 95.05% | 100.00% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 94.59% | 82.38% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 94.40% | 95.17% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 94.35% | 95.89% |
| CHEMBL3468 | P55210 | Caspase-7 | 94.32% | 95.68% |
| CHEMBL5852 | Q96P65 | Pyroglutamylated RFamide peptide receptor | 94.26% | 85.00% |
| CHEMBL3524 | P56524 | Histone deacetylase 4 | 94.22% | 92.97% |
| CHEMBL4801 | P29466 | Caspase-1 | 93.58% | 96.85% |
| CHEMBL3437 | Q16853 | Amine oxidase, copper containing | 93.50% | 94.00% |
| CHEMBL2073 | P07947 | Tyrosine-protein kinase YES | 93.50% | 83.14% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 93.10% | 93.10% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 92.98% | 95.50% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 92.32% | 96.90% |
| CHEMBL4072 | P07858 | Cathepsin B | 92.30% | 93.67% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 92.26% | 98.33% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 92.22% | 99.15% |
| CHEMBL4777 | P25929 | Neuropeptide Y receptor type 1 | 92.07% | 96.67% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 91.86% | 91.19% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.78% | 97.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.26% | 95.56% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 90.16% | 90.71% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 89.71% | 93.56% |
| CHEMBL2095172 | P14867 | GABA-A receptor; alpha-1/beta-2/gamma-2 | 89.29% | 92.67% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 88.92% | 96.00% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 88.91% | 95.38% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 88.82% | 90.20% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 88.74% | 97.79% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 88.68% | 94.73% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 88.27% | 90.17% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 88.21% | 100.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 86.59% | 99.23% |
| CHEMBL3891 | P07384 | Calpain 1 | 86.04% | 93.04% |
| CHEMBL2094135 | Q96BI3 | Gamma-secretase | 85.30% | 98.05% |
| CHEMBL2803 | P43403 | Tyrosine-protein kinase ZAP-70 | 85.17% | 82.50% |
| CHEMBL3713062 | P10646 | Tissue factor pathway inhibitor | 85.15% | 97.33% |
| CHEMBL1744525 | P43490 | Nicotinamide phosphoribosyltransferase | 85.06% | 96.25% |
| CHEMBL2563 | Q9UQL6 | Histone deacetylase 5 | 84.60% | 89.67% |
| CHEMBL4101 | P17612 | cAMP-dependent protein kinase alpha-catalytic subunit | 84.52% | 82.86% |
| CHEMBL245 | P20309 | Muscarinic acetylcholine receptor M3 | 83.93% | 97.53% |
| CHEMBL4608 | P33032 | Melanocortin receptor 5 | 83.70% | 97.00% |
| CHEMBL3392948 | Q9NP59 | Solute carrier family 40 member 1 | 83.47% | 95.00% |
| CHEMBL5261 | Q7L7X3 | Serine/threonine-protein kinase TAO1 | 83.35% | 89.33% |
| CHEMBL5701 | Q9H2K8 | Serine/threonine-protein kinase TAO3 | 83.27% | 96.67% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 83.10% | 97.14% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.19% | 86.33% |
| CHEMBL4644 | P41968 | Melanocortin receptor 3 | 81.87% | 99.52% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 81.72% | 90.93% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 81.32% | 88.56% |
| CHEMBL4145 | Q9UKV0 | Histone deacetylase 9 | 81.07% | 85.49% |
| CHEMBL5939 | Q9NZ08 | Endoplasmic reticulum aminopeptidase 1 | 80.56% | 100.00% |
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 80.02% | 94.08% |
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.
| Dracaena angustifolia |
| PubChem | 644295 |
| LOTUS | LTS0052775 |
| wikiData | Q105379017 |