Microginin 765
| Internal ID | 7a009b1d-18aa-4b3f-83ff-75499df6e0bf |
| Taxonomy | Organic acids and derivatives > Peptidomimetics > Hybrid peptides |
| IUPAC Name | 2-[[2-[[1-[2-[(3-amino-10,10-dichloro-2-hydroxydecanoyl)amino]propanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C36H49Cl2N5O9/c1-21(40-34(49)31(46)26(39)7-4-2-3-5-9-30(37)38)35(50)43-18-6-8-29(43)33(48)41-27(19-22-10-14-24(44)15-11-22)32(47)42-28(36(51)52)20-23-12-16-25(45)17-13-23/h10-17,21,26-31,44-46H,2-9,18-20,39H2,1H3,(H,40,49)(H,41,48)(H,42,47)(H,51,52) |
| InChI Key | RUVSWVJIBKXISF-UHFFFAOYSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C36H49Cl2N5O9 |
| Molecular Weight | 766.70 g/mol |
| Exact Mass | 765.2907335 g/mol |
| Topological Polar Surface Area (TPSA) | 232.00 Ų |
| XlogP | 1.60 |
| DTXSID501334047 |
| 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 | 99.68% | 98.95% |
| CHEMBL3837 | P07711 | Cathepsin L | 98.78% | 96.61% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 98.61% | 83.82% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.61% | 96.09% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 98.21% | 100.00% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 98.04% | 93.10% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 97.06% | 98.33% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 96.81% | 89.63% |
| CHEMBL4123 | P30989 | Neurotensin receptor 1 | 96.16% | 96.67% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 95.92% | 93.56% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 94.88% | 90.71% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.01% | 94.45% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 92.84% | 100.00% |
| CHEMBL4979 | P13866 | Sodium/glucose cotransporter 1 | 92.64% | 98.24% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 92.18% | 90.20% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 92.17% | 95.89% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 91.82% | 100.00% |
| CHEMBL1907594 | P30926 | Neuronal acetylcholine receptor; alpha3/beta4 | 91.47% | 97.23% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 91.33% | 99.17% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 90.56% | 91.19% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.52% | 95.56% |
| CHEMBL4777 | P25929 | Neuropeptide Y receptor type 1 | 90.41% | 96.67% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 90.37% | 90.17% |
| CHEMBL249 | P25103 | Neurokinin 1 receptor | 90.19% | 99.17% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.70% | 97.09% |
| CHEMBL4361 | Q07820 | Induced myeloid leukemia cell differentiation protein Mcl-1 | 88.95% | 95.52% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 88.82% | 98.10% |
| CHEMBL4394 | Q9NYA1 | Sphingosine kinase 1 | 88.65% | 96.03% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 88.19% | 91.11% |
| CHEMBL3976 | Q9UHL4 | Dipeptidyl peptidase II | 87.30% | 92.29% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 87.02% | 100.00% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 86.74% | 95.89% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 86.73% | 93.00% |
| CHEMBL5852 | Q96P65 | Pyroglutamylated RFamide peptide receptor | 86.21% | 85.00% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 85.84% | 97.64% |
| CHEMBL236 | P41143 | Delta opioid receptor | 85.78% | 99.35% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 85.61% | 97.14% |
| CHEMBL233 | P35372 | Mu opioid receptor | 82.94% | 97.93% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 82.25% | 95.50% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 82.20% | 91.81% |
| CHEMBL1873 | P00750 | Tissue-type plasminogen activator | 82.18% | 93.33% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 82.10% | 90.08% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 81.50% | 95.17% |
| CHEMBL1907599 | P05556 | Integrin alpha-4/beta-1 | 81.13% | 92.86% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 80.90% | 93.99% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| PubChem | 146684938 |
| LOTUS | LTS0082466 |
| wikiData | Q104246249 |