Leucocin B-TA33a
| Internal ID | 613b2c31-aac5-42dd-84dc-e8a9eb1d9a64 |
| Taxonomy | Organic Polymers > Polypeptides |
| IUPAC Name | 2,6-diamino-N-[2-[[6-amino-1-[[2-[[1-[[1-[[1-[[1-[[1-[(1-amino-3-hydroxy-1-oxopropan-2-yl)amino]-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-1-oxohexan-2-yl]amino]-2-oxoethyl]hexanamide |
| SMILES (Canonical) | CC(C(=O)NC(CO)C(=O)N)NC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)C(CO)NC(=O)C(CC3=CNC4=CC=CC=C43)NC(=O)C(CC5=CC=CC=C5)NC(=O)CNC(=O)C(CCCCN)NC(=O)CNC(=O)C(CCCCN)N |
| SMILES (Isomeric) | CC(C(=O)NC(CO)C(=O)N)NC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)C(CO)NC(=O)C(CC3=CNC4=CC=CC=C43)NC(=O)C(CC5=CC=CC=C5)NC(=O)CNC(=O)C(CCCCN)NC(=O)CNC(=O)C(CCCCN)N |
| InChI | InChI=1S/C56H77N15O12/c1-32(50(77)70-45(30-72)49(60)76)65-53(80)43(24-34-26-61-39-18-7-5-15-36(34)39)69-56(83)46(31-73)71-55(82)44(25-35-27-62-40-19-8-6-16-37(35)40)68-54(81)42(23-33-13-3-2-4-14-33)67-48(75)29-64-52(79)41(20-10-12-22-58)66-47(74)28-63-51(78)38(59)17-9-11-21-57/h2-8,13-16,18-19,26-27,32,38,41-46,61-62,72-73H,9-12,17,20-25,28-31,57-59H2,1H3,(H2,60,76)(H,63,78)(H,64,79)(H,65,80)(H,66,74)(H,67,75)(H,68,81)(H,69,83)(H,70,77)(H,71,82) |
| InChI Key | KPYOPVCYIZYXBD-UHFFFAOYSA-N |
| Popularity | 19 references in papers |
| Molecular Formula | C56H77N15O12 |
| Molecular Weight | 1152.30 g/mol |
| Exact Mass | 1151.58761295 g/mol |
| Topological Polar Surface Area (TPSA) | 455.00 Ų |
| XlogP | -2.00 |
| 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 | 99.40% | 91.11% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 99.06% | 90.20% |
| CHEMBL1907594 | P30926 | Neuronal acetylcholine receptor; alpha3/beta4 | 98.92% | 97.23% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.82% | 96.09% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 97.49% | 89.63% |
| CHEMBL3837 | P07711 | Cathepsin L | 97.04% | 96.61% |
| CHEMBL4816 | Q9Y243 | Serine/threonine-protein kinase AKT3 | 96.67% | 96.28% |
| CHEMBL2885 | P07451 | Carbonic anhydrase III | 95.75% | 87.45% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 95.61% | 91.81% |
| CHEMBL5939 | Q9NZ08 | Endoplasmic reticulum aminopeptidase 1 | 95.07% | 100.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.76% | 95.56% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 94.74% | 100.00% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 94.73% | 98.33% |
| CHEMBL1914 | P06276 | Butyrylcholinesterase | 94.50% | 95.00% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 94.48% | 90.17% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 94.43% | 99.17% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 93.62% | 97.21% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 92.99% | 97.64% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.95% | 94.45% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 92.77% | 95.50% |
| CHEMBL4101 | P17612 | cAMP-dependent protein kinase alpha-catalytic subunit | 92.00% | 82.86% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 90.23% | 91.71% |
| CHEMBL2431 | P31751 | Serine/threonine-protein kinase AKT2 | 90.12% | 98.33% |
| CHEMBL4581 | P52732 | Kinesin-like protein 1 | 89.61% | 93.18% |
| CHEMBL3176 | O43603 | Galanin receptor 2 | 89.07% | 98.89% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 88.84% | 100.00% |
| CHEMBL5261 | Q7L7X3 | Serine/threonine-protein kinase TAO1 | 87.98% | 89.33% |
| CHEMBL2535 | P11166 | Glucose transporter | 86.89% | 98.75% |
| CHEMBL2094135 | Q96BI3 | Gamma-secretase | 86.71% | 98.05% |
| CHEMBL5701 | Q9H2K8 | Serine/threonine-protein kinase TAO3 | 86.41% | 96.67% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 86.38% | 96.95% |
| CHEMBL3976 | Q9UHL4 | Dipeptidyl peptidase II | 85.62% | 92.29% |
| CHEMBL2973 | O75116 | Rho-associated protein kinase 2 | 85.29% | 96.73% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 84.71% | 96.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 84.09% | 94.73% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 83.61% | 83.82% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 83.51% | 88.56% |
| CHEMBL1287628 | Q9Y5S8 | NADPH oxidase 1 | 82.60% | 95.48% |
| CHEMBL3038469 | P24941 | CDK2/Cyclin A | 81.83% | 91.38% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 81.78% | 94.62% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 81.36% | 96.90% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 81.13% | 96.47% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 80.00% | 95.38% |
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 | 139584476 |
| LOTUS | LTS0083175 |
| wikiData | Q77369896 |