Mechercharmycin B
| Internal ID | d6bb432b-79d6-4cb1-8196-660928fbb9e9 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Peptides > Dipeptides |
| IUPAC Name | methyl 4-[4-[[(2R,3S)-1-[[(2S)-1-[1-[4-(4-carbamoyl-1,3-oxazol-2-yl)-1,3-oxazol-2-yl]ethenylamino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]carbamoyl]-5-phenyl-1,3-oxazol-2-yl]-1,3-oxazole-2-carboxylate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C35H36N8O10/c1-7-17(4)24(42-30(47)25-26(19-11-9-8-10-12-19)53-33(43-25)22-15-52-34(40-22)35(48)49-6)29(46)41-23(16(2)3)28(45)37-18(5)31-39-21(14-50-31)32-38-20(13-51-32)27(36)44/h8-17,23-24H,5,7H2,1-4,6H3,(H2,36,44)(H,37,45)(H,41,46)(H,42,47)/t17-,23-,24+/m0/s1 |
| InChI Key | LNXCNAKRXKEHQH-YRUKQIKQSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C35H36N8O10 |
| Molecular Weight | 728.70 g/mol |
| Exact Mass | 728.25543937 g/mol |
| Topological Polar Surface Area (TPSA) | 261.00 Ų |
| XlogP | 3.60 |
| methyl 4-[4-[[(2R,3S)-1-[[(2S)-1-[1-[4-(4-carbamoyl-1,3-oxazol-2-yl)-1,3-oxazol-2-yl]ethenylamino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]carbamoyl]-5-phenyl-1,3-oxazol-2-yl]-1,3-oxazole-2-carboxylate |
| 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 | 97.73% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.03% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.48% | 96.09% |
| CHEMBL1293294 | P51151 | Ras-related protein Rab-9A | 93.39% | 87.67% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 92.48% | 99.17% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 92.10% | 93.56% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 91.84% | 96.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.63% | 86.33% |
| CHEMBL3308 | P55212 | Caspase-6 | 88.95% | 97.56% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 88.11% | 99.23% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 87.43% | 94.73% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 87.25% | 83.82% |
| CHEMBL3776 | Q14790 | Caspase-8 | 86.91% | 97.06% |
| CHEMBL3891 | P07384 | Calpain 1 | 85.57% | 93.04% |
| CHEMBL5028 | O14672 | ADAM10 | 85.54% | 97.50% |
| CHEMBL2243 | O00519 | Anandamide amidohydrolase | 83.81% | 97.53% |
| CHEMBL262 | P49841 | Glycogen synthase kinase-3 beta | 81.43% | 95.72% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 80.89% | 100.00% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 80.02% | 96.67% |
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 | 11274116 |
| LOTUS | LTS0091357 |
| wikiData | Q77516939 |