Microginin 51A
| Internal ID | abb22063-f61f-47b0-8d52-cfc84cd944ba |
| Taxonomy | Organic acids and derivatives > Peptidomimetics > Hybrid peptides |
| IUPAC Name | (2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-3-amino-2-hydroxydecanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]-methylamino]-3-methylbutanoyl]-methylamino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C49H68N6O11/c1-6-7-8-9-10-12-37(50)43(59)45(61)51-38(27-31-14-20-34(56)21-15-31)46(62)54(5)42(30(2)3)48(64)53(4)41(29-33-18-24-36(58)25-19-33)47(63)55-26-11-13-40(55)44(60)52-39(49(65)66)28-32-16-22-35(57)23-17-32/h14-25,30,37-43,56-59H,6-13,26-29,50H2,1-5H3,(H,51,61)(H,52,60)(H,65,66)/t37-,38-,39-,40-,41-,42-,43-/m0/s1 |
| InChI Key | KNCUIJOWAGGZPU-NKUVHBIJSA-N |
| Popularity | 4 references in papers |
| Molecular Formula | C49H68N6O11 |
| Molecular Weight | 917.10 g/mol |
| Exact Mass | 916.49460701 g/mol |
| Topological Polar Surface Area (TPSA) | 263.00 Ų |
| XlogP | 3.50 |
| 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 99.93% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 99.20% | 96.09% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 98.84% | 89.63% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 98.68% | 100.00% |
| CHEMBL3837 | P07711 | Cathepsin L | 98.01% | 96.61% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 97.67% | 93.10% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 97.45% | 93.56% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 97.11% | 98.33% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 96.54% | 99.17% |
| CHEMBL4123 | P30989 | Neurotensin receptor 1 | 96.00% | 96.67% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 95.74% | 100.00% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 94.90% | 100.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 94.00% | 90.71% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 93.66% | 95.89% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 93.51% | 92.86% |
| CHEMBL1978 | P11511 | Cytochrome P450 19A1 | 92.27% | 91.76% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 92.22% | 95.89% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 92.00% | 91.19% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 91.89% | 93.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.54% | 95.56% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 91.42% | 90.20% |
| CHEMBL233 | P35372 | Mu opioid receptor | 91.41% | 97.93% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 91.14% | 90.08% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 90.84% | 91.81% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 90.75% | 90.17% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 90.22% | 97.29% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.90% | 97.09% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 89.70% | 100.00% |
| CHEMBL4979 | P13866 | Sodium/glucose cotransporter 1 | 89.54% | 98.24% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 89.48% | 97.64% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 89.34% | 95.17% |
| CHEMBL236 | P41143 | Delta opioid receptor | 88.68% | 99.35% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.43% | 94.45% |
| CHEMBL3392948 | Q9NP59 | Solute carrier family 40 member 1 | 87.76% | 95.00% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 87.39% | 97.14% |
| CHEMBL249 | P25103 | Neurokinin 1 receptor | 85.96% | 99.17% |
| CHEMBL1907599 | P05556 | Integrin alpha-4/beta-1 | 84.78% | 92.86% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 84.61% | 98.10% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 84.15% | 93.99% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 83.93% | 94.33% |
| CHEMBL3004 | P33527 | Multidrug resistance-associated protein 1 | 82.34% | 96.37% |
| CHEMBL1907594 | P30926 | Neuronal acetylcholine receptor; alpha3/beta4 | 81.73% | 97.23% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 81.45% | 82.38% |
| CHEMBL4588 | P22894 | Matrix metalloproteinase 8 | 81.32% | 94.66% |
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.
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| There are no matching plants. |
| PubChem | 10102281 |
| LOTUS | LTS0199067 |
| wikiData | Q105143338 |