Polymyxin T(1)
| Internal ID | 170d5f17-42f7-406d-b657-39ba13cf082f |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Peptides > Cyclic peptides |
| IUPAC Name | (6S)-N-[(2R)-4-amino-1-[[(2R,3S)-1-[[(2R)-4-amino-1-oxo-1-[[(3R,6S,9R,12S,15S,18R,21S)-6,9,18-tris(2-aminoethyl)-15-benzyl-3,12-bis(2-methylpropyl)-2,5,8,11,14,17,20-heptaoxo-1,4,7,10,13,16,19-heptazacyclotricos-21-yl]amino]butan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]-6-methyloctanamide |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C58H102N16O12/c1-8-35(6)14-12-13-17-47(76)65-38(18-24-59)55(83)74-48(36(7)75)58(86)70-42(22-28-63)51(79)69-43-23-29-64-49(77)44(30-33(2)3)71-52(80)40(20-26-61)66-50(78)39(19-25-60)68-56(84)45(31-34(4)5)72-57(85)46(32-37-15-10-9-11-16-37)73-53(81)41(21-27-62)67-54(43)82/h9-11,15-16,33-36,38-46,48,75H,8,12-14,17-32,59-63H2,1-7H3,(H,64,77)(H,65,76)(H,66,78)(H,67,82)(H,68,84)(H,69,79)(H,70,86)(H,71,80)(H,72,85)(H,73,81)(H,74,83)/t35-,36-,38+,39+,40-,41+,42+,43-,44+,45-,46-,48+/m0/s1 |
| InChI Key | IQLZHIIINCHIKY-KPIJIBMFSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C58H102N16O12 |
| Molecular Weight | 1215.50 g/mol |
| Exact Mass | 1214.78631275 g/mol |
| Topological Polar Surface Area (TPSA) | 470.00 Ų |
| XlogP | -1.10 |
| 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 | 99.87% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.84% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 96.90% | 99.17% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.70% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.47% | 94.45% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 96.19% | 97.09% |
| CHEMBL220 | P22303 | Acetylcholinesterase | 94.88% | 94.45% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 94.79% | 98.33% |
| CHEMBL2492 | P36544 | Neuronal acetylcholine receptor protein alpha-7 subunit | 94.37% | 88.42% |
| CHEMBL1907594 | P30926 | Neuronal acetylcholine receptor; alpha3/beta4 | 94.19% | 97.23% |
| CHEMBL2094135 | Q96BI3 | Gamma-secretase | 93.54% | 98.05% |
| CHEMBL3837 | P07711 | Cathepsin L | 92.41% | 96.61% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 92.25% | 96.47% |
| CHEMBL4979 | P13866 | Sodium/glucose cotransporter 1 | 91.93% | 98.24% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 91.72% | 97.14% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 91.48% | 97.64% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 91.32% | 90.71% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 91.11% | 90.17% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 90.67% | 95.89% |
| CHEMBL1293287 | P14735 | Insulin-degrading enzyme | 89.72% | 88.10% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 89.02% | 90.24% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 88.56% | 95.93% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 88.35% | 93.03% |
| CHEMBL3392948 | Q9NP59 | Solute carrier family 40 member 1 | 88.18% | 95.00% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 86.17% | 93.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.76% | 95.56% |
| CHEMBL4581 | P52732 | Kinesin-like protein 1 | 85.72% | 93.18% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 84.73% | 90.20% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 84.22% | 93.56% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 84.04% | 100.00% |
| CHEMBL2327 | P21452 | Neurokinin 2 receptor | 83.96% | 98.89% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 83.57% | 82.38% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 82.74% | 100.00% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 82.30% | 100.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 81.62% | 98.75% |
| CHEMBL1075317 | P61964 | WD repeat-containing protein 5 | 81.10% | 96.33% |
| CHEMBL3524 | P56524 | Histone deacetylase 4 | 81.06% | 92.97% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 80.81% | 95.50% |
| CHEMBL222 | P23975 | Norepinephrine transporter | 80.12% | 96.06% |
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 | 139589157 |
| LOTUS | LTS0103322 |
| wikiData | Q105117982 |