Mirabamide F
| Internal ID | 9fe9e186-42b7-4fbd-8909-0bab3cc6d17d |
| Taxonomy | Organic acids and derivatives > Peptidomimetics > Depsipeptides > Cyclic depsipeptides > Cyclic glycodepsipeptides |
| IUPAC Name | (2R,3S,4S)-4-[[(2S,3S)-3-amino-2-[[(Z)-2-[[2-[[(4Z,6E)-3-hydroxy-2,6,8-trimethyldeca-4,6-dienoyl]amino]acetyl]amino]but-2-enoyl]amino]butanoyl]amino]-N'-[(3R,6S,9S,15R,18R,19R,22S,24S)-24-chloro-6-[(1R)-1-hydroxyethyl]-15-(methoxymethyl)-3-[(R)-methoxy-[4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyphenyl]methyl]-7,9-dimethyl-2,5,8,11,14,17,21-heptaoxo-19-propan-2-yl-20-oxa-1,4,7,10,13,16-hexazabicyclo[20.4.0]hexacosan-18-yl]-2,3-dimethylpentanediamide |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C72H112ClN13O23/c1-17-33(5)27-34(6)19-24-48(88)37(9)62(95)76-30-50(90)79-45(18-2)64(97)82-52(38(10)74)66(99)81-51(35(7)36(8)61(75)94)65(98)83-53-59(32(3)4)109-71(104)47-28-43(73)25-26-86(47)70(103)54(60(106-16)42-20-22-44(23-21-42)108-72-58(93)57(92)56(91)41(13)107-72)84-68(101)55(40(12)87)85(14)69(102)39(11)78-49(89)29-77-63(96)46(31-105-15)80-67(53)100/h18-24,27,32-33,35-41,43,46-48,51-60,72,87-88,91-93H,17,25-26,28-31,74H2,1-16H3,(H2,75,94)(H,76,95)(H,77,96)(H,78,89)(H,79,90)(H,80,100)(H,81,99)(H,82,97)(H,83,98)(H,84,101)/b24-19-,34-27+,45-18-/t33?,35-,36+,37?,38-,39-,40+,41-,43-,46+,47-,48?,51-,52-,53+,54+,55-,56-,57+,58+,59+,60+,72-/m0/s1 |
| InChI Key | FMEFONVJOKEKCD-FKSYTPMBSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C72H112ClN13O23 |
| Molecular Weight | 1563.20 g/mol |
| Exact Mass | 1561.7682546 g/mol |
| Topological Polar Surface Area (TPSA) | 536.00 Ų |
| XlogP | 0.00 |
| CHEBI:68404 |
| CHEMBL1689427 |
| Q27136903 |
| 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 | 99.77% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 99.59% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.48% | 91.11% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 98.57% | 95.93% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 98.40% | 97.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 98.16% | 94.45% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 98.15% | 98.59% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 96.45% | 89.00% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 96.13% | 90.17% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 95.07% | 85.14% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 95.01% | 99.17% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 94.57% | 90.00% |
| CHEMBL1163125 | O60885 | Bromodomain-containing protein 4 | 93.71% | 97.31% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 93.23% | 95.89% |
| CHEMBL3837 | P07711 | Cathepsin L | 93.20% | 96.61% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 92.70% | 90.08% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 92.47% | 91.03% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 92.06% | 96.00% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 91.58% | 100.00% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 91.00% | 97.14% |
| CHEMBL333 | P08253 | Matrix metalloproteinase-2 | 90.86% | 96.31% |
| CHEMBL2073 | P07947 | Tyrosine-protein kinase YES | 87.80% | 83.14% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 87.73% | 98.33% |
| CHEMBL4072 | P07858 | Cathepsin B | 87.55% | 93.67% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 87.10% | 99.23% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 86.35% | 94.33% |
| CHEMBL3437 | Q16853 | Amine oxidase, copper containing | 86.17% | 94.00% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 85.87% | 89.50% |
| CHEMBL4588 | P22894 | Matrix metalloproteinase 8 | 85.87% | 94.66% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.30% | 95.56% |
| CHEMBL4296 | Q15858 | Sodium channel protein type IX alpha subunit | 85.18% | 96.11% |
| CHEMBL1907598 | P05106 | Integrin alpha-V/beta-3 | 85.12% | 95.71% |
| CHEMBL3384 | Q16512 | Protein kinase N1 | 83.98% | 80.71% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 83.10% | 82.38% |
| CHEMBL2094135 | Q96BI3 | Gamma-secretase | 83.01% | 98.05% |
| CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 81.94% | 95.83% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 81.89% | 93.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 81.84% | 90.71% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 81.80% | 95.89% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 81.70% | 97.64% |
| CHEMBL344 | Q99705 | Melanin-concentrating hormone receptor 1 | 81.62% | 92.50% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 81.28% | 91.07% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 81.22% | 96.90% |
| CHEMBL2096618 | P11274 | Bcr/Abl fusion protein | 80.97% | 85.83% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 80.83% | 100.00% |
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| PubChem | 51041751 |
| LOTUS | LTS0215791 |
| wikiData | Q27136903 |