Muraymycin A2
| Internal ID | 7c09cfe6-2ff8-4b83-817d-76fa2a293562 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Peptides > Dipeptides |
| IUPAC Name | (2S)-2-[[2-[[(2S,3S)-1-[3-[[(2R)-2-[(2S,3R,4R,5R)-5-(aminomethyl)-4-hydroxy-3-methoxyoxolan-2-yl]oxy-1-carboxy-2-[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]ethyl]amino]propylamino]-3-[9-[carbamimidoyl(hydroxy)amino]nonanoyloxy]-4-methyl-1-oxopentan-2-yl]amino]-1-(2-amino-1,4,5,6-tetrahydropyrimidin-6-yl)-2-oxoethyl]carbamoylamino]-3-methylbutanoic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C48H82N14O19/c1-22(2)28(42(70)71)59-47(74)60-29(24-14-18-55-46(52)56-24)40(69)58-30(35(23(3)4)79-27(64)13-10-8-6-7-9-11-19-62(76)45(50)51)39(68)54-17-12-16-53-31(43(72)73)36(81-44-38(77-5)32(65)25(21-49)78-44)37-33(66)34(67)41(80-37)61-20-15-26(63)57-48(61)75/h15,20,22-25,28-38,41,44,53,65-67,76H,6-14,16-19,21,49H2,1-5H3,(H3,50,51)(H,54,68)(H,58,69)(H,70,71)(H,72,73)(H3,52,55,56)(H,57,63,75)(H2,59,60,74)/t24?,25-,28+,29?,30+,31?,32-,33+,34-,35+,36-,37+,38-,41-,44+/m1/s1 |
| InChI Key | NKJKSPSDTLFYLP-UOQVWMTISA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C48H82N14O19 |
| Molecular Weight | 1159.20 g/mol |
| Exact Mass | 1158.58806644 g/mol |
| Topological Polar Surface Area (TPSA) | 509.00 Ų |
| XlogP | -8.30 |
| 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 |
|---|---|---|---|---|
| CHEMBL220 | P22303 | Acetylcholinesterase | 99.93% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 99.87% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 99.78% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.43% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.85% | 94.45% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 96.01% | 99.17% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 95.21% | 90.08% |
| CHEMBL204 | P00734 | Thrombin | 94.77% | 96.01% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 93.20% | 90.71% |
| CHEMBL3392948 | Q9NP59 | Solute carrier family 40 member 1 | 93.07% | 95.00% |
| CHEMBL5028 | O14672 | ADAM10 | 92.61% | 97.50% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.54% | 97.09% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 91.27% | 95.89% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 90.31% | 99.23% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 90.27% | 100.00% |
| CHEMBL4588 | P22894 | Matrix metalloproteinase 8 | 89.27% | 94.66% |
| CHEMBL2815 | P04629 | Nerve growth factor receptor Trk-A | 89.02% | 87.16% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 88.90% | 93.00% |
| CHEMBL2492 | P36544 | Neuronal acetylcholine receptor protein alpha-7 subunit | 88.05% | 88.42% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 87.51% | 94.73% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 87.19% | 98.33% |
| CHEMBL2292 | Q13627 | Dual-specificity tyrosine-phosphorylation regulated kinase 1A | 86.20% | 93.24% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 86.14% | 94.33% |
| CHEMBL2345 | P51812 | Ribosomal protein S6 kinase alpha 3 | 86.00% | 95.64% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 85.94% | 93.56% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 85.28% | 95.89% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 84.74% | 98.59% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 84.42% | 96.90% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 84.36% | 91.03% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 83.62% | 92.50% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 83.24% | 96.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 83.19% | 95.56% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 82.72% | 100.00% |
| CHEMBL2563 | Q9UQL6 | Histone deacetylase 5 | 82.02% | 89.67% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 81.36% | 88.56% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 80.05% | 96.21% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 139587762 |
| LOTUS | LTS0059369 |
| wikiData | Q77573438 |