Microginin 747A
| Internal ID | a1720c50-1246-496d-a00d-ec826f55d678 |
| Taxonomy | Organic acids and derivatives > Peptidomimetics > Hybrid peptides |
| IUPAC Name | 2-[[2-[[1-[2-[(3-amino-10-chloro-2-hydroxydecanoyl)amino]-3-hydroxypropanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C36H50ClN5O10/c37-17-5-3-1-2-4-7-26(38)31(46)34(49)41-29(21-43)35(50)42-18-6-8-30(42)33(48)39-27(19-22-9-13-24(44)14-10-22)32(47)40-28(36(51)52)20-23-11-15-25(45)16-12-23/h9-16,26-31,43-46H,1-8,17-21,38H2,(H,39,48)(H,40,47)(H,41,49)(H,51,52) |
| InChI Key | IEFYVENCGJIZIJ-UHFFFAOYSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C36H50ClN5O10 |
| Molecular Weight | 748.30 g/mol |
| Exact Mass | 747.3246205 g/mol |
| Topological Polar Surface Area (TPSA) | 252.00 Ų |
| XlogP | -0.20 |
| DTXSID801335399 |
| 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 |
|---|---|---|---|---|
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 99.26% | 93.10% |
| CHEMBL2581 | P07339 | Cathepsin D | 99.17% | 98.95% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 98.24% | 100.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.89% | 96.09% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 97.03% | 98.33% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 96.96% | 83.82% |
| CHEMBL4123 | P30989 | Neurotensin receptor 1 | 96.70% | 96.67% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.50% | 94.45% |
| CHEMBL4198 | P98170 | Inhibitor of apoptosis protein 3 | 95.87% | 97.79% |
| CHEMBL3837 | P07711 | Cathepsin L | 95.26% | 96.61% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 95.07% | 99.17% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.86% | 91.11% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 92.97% | 90.20% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 92.86% | 93.56% |
| CHEMBL4394 | Q9NYA1 | Sphingosine kinase 1 | 92.44% | 96.03% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 92.15% | 90.71% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 92.07% | 100.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 92.07% | 95.89% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.00% | 97.09% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 91.21% | 97.64% |
| CHEMBL4979 | P13866 | Sodium/glucose cotransporter 1 | 90.60% | 98.24% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 90.04% | 89.63% |
| CHEMBL4777 | P25929 | Neuropeptide Y receptor type 1 | 89.70% | 96.67% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 89.29% | 91.19% |
| CHEMBL1907594 | P30926 | Neuronal acetylcholine receptor; alpha3/beta4 | 88.93% | 97.23% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 88.87% | 93.99% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 88.57% | 100.00% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 88.25% | 91.81% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.22% | 95.56% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 87.83% | 93.00% |
| CHEMBL4101 | P17612 | cAMP-dependent protein kinase alpha-catalytic subunit | 87.75% | 82.86% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 87.46% | 95.89% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 87.39% | 100.00% |
| CHEMBL2319 | P06870 | Kallikrein 1 | 87.33% | 90.95% |
| CHEMBL233 | P35372 | Mu opioid receptor | 86.99% | 97.93% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 86.99% | 95.17% |
| CHEMBL4361 | Q07820 | Induced myeloid leukemia cell differentiation protein Mcl-1 | 86.16% | 95.52% |
| CHEMBL2327 | P21452 | Neurokinin 2 receptor | 85.21% | 98.89% |
| CHEMBL1978 | P11511 | Cytochrome P450 19A1 | 83.74% | 91.76% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 83.74% | 98.10% |
| CHEMBL249 | P25103 | Neurokinin 1 receptor | 83.50% | 99.17% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 83.48% | 90.08% |
| CHEMBL2073 | P07947 | Tyrosine-protein kinase YES | 82.83% | 83.14% |
| CHEMBL2563 | Q9UQL6 | Histone deacetylase 5 | 82.35% | 89.67% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 82.32% | 97.29% |
| CHEMBL3392948 | Q9NP59 | Solute carrier family 40 member 1 | 81.96% | 95.00% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 81.78% | 82.69% |
| CHEMBL5852 | Q96P65 | Pyroglutamylated RFamide peptide receptor | 81.68% | 85.00% |
| CHEMBL3024 | P53350 | Serine/threonine-protein kinase PLK1 | 81.51% | 97.43% |
| CHEMBL1873 | P00750 | Tissue-type plasminogen activator | 81.51% | 93.33% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 81.02% | 95.50% |
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 | 146684937 |
| LOTUS | LTS0132033 |
| wikiData | Q104246247 |