Ac-D-Gln-Ile-N(Me)Leu-Ile-N(Me)Val-N(Me)Ile-N(Me)Ile-N(Me)Ile-OH
| Internal ID | 0b3157a8-ae89-4f07-9f23-e35acc71eb98 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Peptides |
| IUPAC Name | (2S,3S)-2-[[(2S,3S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2R)-2-acetamido-5-amino-5-oxopentanoyl]amino]-3-methylpentanoyl]-methylamino]-4-methylpentanoyl]amino]-3-methylpentanoyl]-methylamino]-3-methylbutanoyl]-methylamino]-3-methylpentanoyl]-methylamino]-3-methylpentanoyl]-methylamino]-3-methylpentanoic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C53H97N9O11/c1-21-31(10)40(56-46(65)37(55-36(15)63)26-27-39(54)64)48(67)58(16)38(28-29(6)7)47(66)57-41(32(11)22-2)49(68)59(17)42(30(8)9)50(69)60(18)43(33(12)23-3)51(70)61(19)44(34(13)24-4)52(71)62(20)45(53(72)73)35(14)25-5/h29-35,37-38,40-45H,21-28H2,1-20H3,(H2,54,64)(H,55,63)(H,56,65)(H,57,66)(H,72,73)/t31-,32-,33-,34-,35-,37+,38-,40-,41-,42-,43-,44-,45-/m0/s1 |
| InChI Key | YEHYELQIMQIGQU-VMIGUSPASA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C53H97N9O11 |
| Molecular Weight | 1036.40 g/mol |
| Exact Mass | 1035.73075494 g/mol |
| Topological Polar Surface Area (TPSA) | 269.00 Ų |
| XlogP | 6.40 |
| SCHEMBL29557912 |
| InChI=1/C53H97N9O11/c1-21-31(10)40(56-46(65)37(55-36(15)63)26-27-39(54)64)48(67)58(16)38(28-29(6)7)47(66)57-41(32(11)22-2)49(68)59(17)42(30(8)9)50(69)60(18)43(33(12)23-3)51(70)61(19)44(34(13)24-4)52(71)62(20)45(53(72)73)35(14)25-5/h29-35,37-38,40-45H,21- |
| 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 |
|---|---|---|---|---|
| CHEMBL3837 | P07711 | Cathepsin L | 99.37% | 96.61% |
| CHEMBL2581 | P07339 | Cathepsin D | 99.25% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.17% | 96.09% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 96.77% | 90.17% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 95.05% | 93.56% |
| CHEMBL2094135 | Q96BI3 | Gamma-secretase | 94.35% | 98.05% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 93.78% | 99.17% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 93.15% | 100.00% |
| CHEMBL4018 | P49146 | Neuropeptide Y receptor type 2 | 90.71% | 98.94% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 90.45% | 96.47% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 89.57% | 91.19% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 89.47% | 100.00% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 89.36% | 93.00% |
| CHEMBL3776 | Q14790 | Caspase-8 | 87.19% | 97.06% |
| CHEMBL3024 | P53350 | Serine/threonine-protein kinase PLK1 | 86.68% | 97.43% |
| CHEMBL203 | P00533 | Epidermal growth factor receptor erbB1 | 86.37% | 97.34% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 85.57% | 96.00% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 85.18% | 98.33% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 84.31% | 89.50% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 84.01% | 94.33% |
| CHEMBL3308 | P55212 | Caspase-6 | 83.88% | 97.56% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 83.84% | 100.00% |
| CHEMBL2885 | P07451 | Carbonic anhydrase III | 83.21% | 87.45% |
| CHEMBL3004 | P33527 | Multidrug resistance-associated protein 1 | 82.87% | 96.37% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 82.49% | 95.71% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 82.08% | 91.11% |
| CHEMBL4618 | P09960 | Leukotriene A4 hydrolase | 82.03% | 97.86% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 81.66% | 90.20% |
| CHEMBL5285 | Q99683 | Mitogen-activated protein kinase kinase kinase 5 | 81.59% | 92.26% |
| CHEMBL1944495 | P28065 | Proteasome subunit beta type-9 | 80.94% | 97.50% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 80.22% | 90.71% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| PubChem | 11665244 |
| LOTUS | LTS0121195 |
| wikiData | Q105347245 |