(D-Asp3)MC-LW
| Internal ID | 3ea6ebbe-d94b-49af-9156-bd5c091870e2 |
| Taxonomy | Organic acids and derivatives > Peptidomimetics > Hybrid peptides |
| IUPAC Name | (5R,8S,11R,15S,18S,19S,22R)-15-(1H-indol-3-ylmethyl)-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,19-trimethyl-2-methylidene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C53H70N8O12/c1-29(2)23-41-50(67)60-43(53(71)72)27-45(62)56-42(26-36-28-54-39-18-14-13-17-37(36)39)51(68)57-38(20-19-30(3)24-31(4)44(73-9)25-35-15-11-10-12-16-35)32(5)47(64)58-40(52(69)70)21-22-46(63)61(8)34(7)49(66)55-33(6)48(65)59-41/h10-20,24,28-29,31-33,38,40-44,54H,7,21-23,25-27H2,1-6,8-9H3,(H,55,66)(H,56,62)(H,57,68)(H,58,64)(H,59,65)(H,60,67)(H,69,70)(H,71,72)/b20-19+,30-24+/t31-,32-,33+,38-,40+,41-,42-,43+,44-/m0/s1 |
| InChI Key | KEUIEPSPMZCRNU-MGDFNBQSSA-N |
| Popularity | 4 references in papers |
| Molecular Formula | C53H70N8O12 |
| Molecular Weight | 1011.20 g/mol |
| Exact Mass | 1010.51131970 g/mol |
| Topological Polar Surface Area (TPSA) | 295.00 Ų |
| XlogP | 4.60 |
| DTXSID601335648 |
| 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 |
|---|---|---|---|---|
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 99.97% | 83.82% |
| CHEMBL2581 | P07339 | Cathepsin D | 99.91% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.59% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 97.42% | 95.56% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 97.18% | 97.64% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 97.00% | 91.49% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.97% | 91.11% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 96.54% | 90.08% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 96.42% | 91.71% |
| CHEMBL3837 | P07711 | Cathepsin L | 96.29% | 96.61% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 95.79% | 94.75% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 95.39% | 88.56% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 94.91% | 93.99% |
| CHEMBL4072 | P07858 | Cathepsin B | 91.84% | 93.67% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 91.71% | 85.14% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.55% | 86.33% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.07% | 94.45% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.78% | 89.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.71% | 95.89% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 88.23% | 99.23% |
| CHEMBL4644 | P41968 | Melanocortin receptor 3 | 87.78% | 99.52% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 87.71% | 90.20% |
| CHEMBL2095226 | P05556 | Integrin alpha-5/beta-1 | 87.27% | 96.39% |
| CHEMBL2535 | P11166 | Glucose transporter | 86.17% | 98.75% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 84.80% | 99.17% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.18% | 97.09% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 82.33% | 95.62% |
| CHEMBL3155 | P34969 | Serotonin 7 (5-HT7) receptor | 81.89% | 90.71% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 81.88% | 95.50% |
| CHEMBL2095172 | P14867 | GABA-A receptor; alpha-1/beta-2/gamma-2 | 81.01% | 92.67% |
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 | 155802154 |
| LOTUS | LTS0048871 |
| wikiData | Q104246620 |