Nukacin ISK-1
| Internal ID | a951fb79-b7ff-4ee4-bfcd-60ee8b83fe4b |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Peptides > Oligopeptides |
| IUPAC Name | 5-[[4-amino-1-[[1-[[6-amino-1-[[1-[[1-[[6-amino-1-[[3-carboxy-1-[(3-methyl-1-oxopentan-2-yl)amino]-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-4-[(2-amino-4-methylsulfanylbutanoyl)amino]-5-oxopentanoic acid |
| SMILES (Canonical) | CCC(C)C(C=O)NC(=O)C(CC(=O)O)NC(=O)C(CCCCN)NC(=O)C(CCSC)NC(=O)C(C(C)C)NC(=O)C(CCCCN)NC(=O)C(CO)NC(=O)C(CC(=O)N)NC(=O)C(CCC(=O)O)NC(=O)C(CCSC)N |
| SMILES (Isomeric) | CCC(C)C(C=O)NC(=O)C(CC(=O)O)NC(=O)C(CCCCN)NC(=O)C(CCSC)NC(=O)C(C(C)C)NC(=O)C(CCCCN)NC(=O)C(CO)NC(=O)C(CC(=O)N)NC(=O)C(CCC(=O)O)NC(=O)C(CCSC)N |
| InChI | InChI=1S/C49H87N13O16S2/c1-7-27(4)35(24-63)60-47(76)34(23-39(68)69)59-42(71)29(12-8-10-18-50)55-44(73)32(17-21-80-6)57-49(78)40(26(2)3)62-45(74)30(13-9-11-19-51)56-48(77)36(25-64)61-46(75)33(22-37(53)65)58-43(72)31(14-15-38(66)67)54-41(70)28(52)16-20-79-5/h24,26-36,40,64H,7-23,25,50-52H2,1-6H3,(H2,53,65)(H,54,70)(H,55,73)(H,56,77)(H,57,78)(H,58,72)(H,59,71)(H,60,76)(H,61,75)(H,62,74)(H,66,67)(H,68,69) |
| InChI Key | HAFVLPSGNZHBMQ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C49H87N13O16S2 |
| Molecular Weight | 1178.40 g/mol |
| Exact Mass | 1177.58351609 g/mol |
| Topological Polar Surface Area (TPSA) | 546.00 Ų |
| XlogP | -8.50 |
| 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 |
|---|---|---|---|---|
| CHEMBL4801 | P29466 | Caspase-1 | 99.24% | 96.85% |
| CHEMBL3776 | Q14790 | Caspase-8 | 99.13% | 97.06% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.97% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.47% | 96.09% |
| CHEMBL4018 | P49146 | Neuropeptide Y receptor type 2 | 97.35% | 98.94% |
| CHEMBL2334 | P42574 | Caspase-3 | 97.20% | 98.25% |
| CHEMBL236 | P41143 | Delta opioid receptor | 96.96% | 99.35% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 96.87% | 100.00% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 96.36% | 93.56% |
| CHEMBL3468 | P55210 | Caspase-7 | 96.26% | 95.68% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 96.22% | 99.17% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 95.46% | 100.00% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 95.30% | 98.33% |
| CHEMBL1907594 | P30926 | Neuronal acetylcholine receptor; alpha3/beta4 | 94.64% | 97.23% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 93.77% | 90.20% |
| CHEMBL4071 | P08311 | Cathepsin G | 92.91% | 94.64% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 92.86% | 93.00% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 92.68% | 83.82% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 92.51% | 89.50% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.91% | 91.11% |
| CHEMBL3437 | Q16853 | Amine oxidase, copper containing | 91.87% | 94.00% |
| CHEMBL2208 | P49137 | MAP kinase-activated protein kinase 2 | 91.85% | 95.20% |
| CHEMBL3308 | P55212 | Caspase-6 | 91.05% | 97.56% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 90.85% | 96.00% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 90.72% | 90.17% |
| CHEMBL2001 | Q9H244 | Purinergic receptor P2Y12 | 90.49% | 96.00% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 90.13% | 97.21% |
| CHEMBL2492 | P36544 | Neuronal acetylcholine receptor protein alpha-7 subunit | 89.30% | 88.42% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 88.58% | 96.47% |
| CHEMBL2094135 | Q96BI3 | Gamma-secretase | 88.27% | 98.05% |
| CHEMBL4777 | P25929 | Neuropeptide Y receptor type 1 | 87.66% | 96.67% |
| CHEMBL4588 | P22894 | Matrix metalloproteinase 8 | 87.23% | 94.66% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 86.47% | 94.33% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 86.07% | 97.29% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 85.68% | 96.90% |
| CHEMBL3392948 | Q9NP59 | Solute carrier family 40 member 1 | 85.68% | 95.00% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 85.66% | 100.00% |
| CHEMBL4625 | Q07817 | Apoptosis regulator Bcl-X | 85.47% | 99.77% |
| CHEMBL4581 | P52732 | Kinesin-like protein 1 | 85.23% | 93.18% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 84.49% | 95.71% |
| CHEMBL3024 | P53350 | Serine/threonine-protein kinase PLK1 | 84.44% | 97.43% |
| CHEMBL4816 | Q9Y243 | Serine/threonine-protein kinase AKT3 | 84.43% | 96.28% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 84.24% | 90.71% |
| CHEMBL3176 | O43603 | Galanin receptor 2 | 83.49% | 98.89% |
| CHEMBL3018 | Q9Y5Y6 | Matriptase | 83.05% | 98.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 82.50% | 95.56% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 81.67% | 95.50% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 81.56% | 94.45% |
| CHEMBL1293287 | P14735 | Insulin-degrading enzyme | 80.77% | 88.10% |
| CHEMBL2072 | P35499 | Sodium channel protein type IV alpha subunit | 80.69% | 92.32% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 80.24% | 91.19% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 80.19% | 89.34% |
| CHEMBL3784 | Q09472 | Histone acetyltransferase p300 | 80.00% | 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.
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| There are no matching plants. |
| PubChem | 139585154 |
| LOTUS | LTS0229125 |
| wikiData | Q77384940 |