Talisomycin
| Internal ID | bcbd7a90-05c6-4902-8ada-5c89355d0deb |
| Taxonomy | Organic acids and derivatives > Peptidomimetics > Hybrid peptides > Hybrid glycopeptides |
| IUPAC Name | [2-[2-[3-[[5-[[1-[[2-[4-[4-[[4-amino-6-[3-(4-aminobutylamino)propylamino]-6-oxohexyl]carbamoyl]-1,3-thiazol-2-yl]-1,3-thiazol-2-yl]-1-(5-amino-3,4-dihydroxy-6-methyloxan-2-yl)oxy-2-hydroxyethyl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-hydroxy-5-oxopentan-2-yl]amino]-2-[[6-amino-2-[3-amino-1-[(2,3-diamino-3-oxopropyl)amino]-3-oxopropyl]-5-methylpyrimidine-4-carbonyl]amino]-1-(1H-imidazol-5-yl)-3-oxopropoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl] carbamate |
| SMILES (Canonical) | CC1C(C(C(C(O1)OC(C(C2=NC(=CS2)C3=NC(=CS3)C(=O)NCCCC(CC(=O)NCCCNCCCCN)N)O)NC(=O)C(C(C)O)NC(=O)CC(C(C)NC(=O)C(C(C4=CN=CN4)OC5C(C(C(C(O5)CO)O)O)OC6C(C(C(C(O6)CO)O)OC(=O)N)O)NC(=O)C7=C(C(=NC(=N7)C(CC(=O)N)NCC(C(=O)N)N)N)C)O)O)O)N |
| SMILES (Isomeric) | CC1C(C(C(C(O1)OC(C(C2=NC(=CS2)C3=NC(=CS3)C(=O)NCCCC(CC(=O)NCCCNCCCCN)N)O)NC(=O)C(C(C)O)NC(=O)CC(C(C)NC(=O)C(C(C4=CN=CN4)OC5C(C(C(C(O5)CO)O)O)OC6C(C(C(C(O6)CO)O)OC(=O)N)O)NC(=O)C7=C(C(=NC(=N7)C(CC(=O)N)NCC(C(=O)N)N)N)C)O)O)O)N |
| InChI | InChI=1S/C68H110N22O27S2/c1-25-42(87-57(89-55(25)74)31(16-38(72)95)81-18-30(71)56(75)105)59(107)88-44(52(32-19-78-24-82-32)114-67-54(48(101)45(98)36(20-91)113-67)115-66-50(103)53(116-68(76)110)46(99)37(21-92)112-66)61(109)83-26(2)35(94)17-40(97)86-43(27(3)93)60(108)90-62(117-65-49(102)47(100)41(73)28(4)111-65)51(104)64-85-34(23-119-64)63-84-33(22-118-63)58(106)80-13-7-9-29(70)15-39(96)79-14-8-12-77-11-6-5-10-69/h19,22-24,26-31,35-37,41,43-54,62,65-67,77,81,91-94,98-104H,5-18,20-21,69-71,73H2,1-4H3,(H2,72,95)(H2,75,105)(H2,76,110)(H,78,82)(H,79,96)(H,80,106)(H,83,109)(H,86,97)(H,88,107)(H,90,108)(H2,74,87,89) |
| InChI Key | VUPBDWQPEOWRQP-UHFFFAOYSA-N |
| Popularity | 52 references in papers |
| Molecular Formula | C68H110N22O27S2 |
| Molecular Weight | 1731.90 g/mol |
| Exact Mass | 1730.7352187 g/mol |
| Topological Polar Surface Area (TPSA) | 882.00 Ų |
| XlogP | -13.30 |
| Talisomycin |
| 65057-90-1 |
| NSC-279496 |
| DTXSID201318155 |
| NSC279496 |
| Talisomycin; 65057-90-1; BLEOMYCIN ANALOG |
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 99.52% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.44% | 91.11% |
| CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 98.91% | 97.36% |
| CHEMBL2094135 | Q96BI3 | Gamma-secretase | 98.72% | 98.05% |
| CHEMBL2243 | O00519 | Anandamide amidohydrolase | 98.43% | 97.53% |
| CHEMBL2581 | P07339 | Cathepsin D | 98.36% | 98.95% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 97.34% | 96.21% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 97.28% | 94.73% |
| CHEMBL4816 | Q9Y243 | Serine/threonine-protein kinase AKT3 | 96.99% | 96.28% |
| CHEMBL3392948 | Q9NP59 | Solute carrier family 40 member 1 | 96.56% | 95.00% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 96.40% | 96.90% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 95.79% | 96.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 95.60% | 99.17% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 95.52% | 95.17% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 94.90% | 99.23% |
| CHEMBL5852 | Q96P65 | Pyroglutamylated RFamide peptide receptor | 94.65% | 85.00% |
| CHEMBL2492 | P36544 | Neuronal acetylcholine receptor protein alpha-7 subunit | 94.62% | 88.42% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 93.35% | 83.82% |
| CHEMBL3976 | Q9UHL4 | Dipeptidyl peptidase II | 93.07% | 92.29% |
| CHEMBL284 | P27487 | Dipeptidyl peptidase IV | 92.81% | 95.69% |
| CHEMBL2885 | P07451 | Carbonic anhydrase III | 92.62% | 87.45% |
| CHEMBL4506 | Q96EB6 | NAD-dependent deacetylase sirtuin 1 | 92.49% | 88.33% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.99% | 94.45% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 91.93% | 90.00% |
| CHEMBL3038469 | P24941 | CDK2/Cyclin A | 91.43% | 91.38% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 91.42% | 90.24% |
| CHEMBL4101 | P17612 | cAMP-dependent protein kinase alpha-catalytic subunit | 91.33% | 82.86% |
| CHEMBL1907594 | P30926 | Neuronal acetylcholine receptor; alpha3/beta4 | 91.31% | 97.23% |
| CHEMBL1829 | O15379 | Histone deacetylase 3 | 90.21% | 95.00% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 90.16% | 98.33% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 89.74% | 93.56% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 89.40% | 95.89% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 89.40% | 95.71% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 89.14% | 93.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.03% | 97.09% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 88.60% | 93.10% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 88.48% | 94.75% |
| CHEMBL213 | P08588 | Beta-1 adrenergic receptor | 88.19% | 95.56% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 87.90% | 93.03% |
| CHEMBL5028 | O14672 | ADAM10 | 87.41% | 97.50% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 86.69% | 90.08% |
| CHEMBL1287628 | Q9Y5S8 | NADPH oxidase 1 | 86.54% | 95.48% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 86.46% | 97.79% |
| CHEMBL1293277 | O15118 | Niemann-Pick C1 protein | 85.98% | 81.11% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 85.54% | 100.00% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 84.88% | 88.56% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 84.74% | 100.00% |
| CHEMBL325 | Q13547 | Histone deacetylase 1 | 84.72% | 95.92% |
| CHEMBL3776 | Q14790 | Caspase-8 | 84.69% | 97.06% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 84.04% | 100.00% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 83.45% | 96.47% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 83.42% | 91.24% |
| CHEMBL2563 | Q9UQL6 | Histone deacetylase 5 | 83.07% | 89.67% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 82.59% | 95.50% |
| CHEMBL1293294 | P51151 | Ras-related protein Rab-9A | 82.38% | 87.67% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 82.37% | 90.17% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 82.27% | 85.14% |
| CHEMBL4071 | P08311 | Cathepsin G | 82.14% | 94.64% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 81.65% | 97.29% |
| CHEMBL1628481 | P35414 | Apelin receptor | 81.13% | 97.89% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 80.95% | 94.00% |
| CHEMBL1881 | P43116 | Prostanoid EP2 receptor | 80.83% | 93.00% |
| CHEMBL3891 | P07384 | Calpain 1 | 80.03% | 93.04% |
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.
| There are no matching plants. |
| PubChem | 430602 |
| LOTUS | LTS0062688 |
| wikiData | Q105297348 |