Microginin 299-D
| Internal ID | 105182df-bf1c-4c95-a591-cf979a70e0e9 |
| Taxonomy | Organic acids and derivatives > Peptidomimetics > Hybrid peptides |
| IUPAC Name | (2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-3-amino-10,10-dichloro-2-hydroxydecanoyl]amino]-3-methylbutanoyl]-methylamino]-3-methylbutanoyl]-methylamino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carboxylic acid |
| SMILES (Canonical) | CC(C)C(C(=O)N(C)C(C(C)C)C(=O)N(C)C(CC1=CC=C(C=C1)O)C(=O)N2CCCC2C(=O)O)NC(=O)C(C(CCCCCCC(Cl)Cl)N)O |
| SMILES (Isomeric) | CC(C)[C@@H](C(=O)N(C)[C@@H](C(C)C)C(=O)N(C)[C@@H](CC1=CC=C(C=C1)O)C(=O)N2CCC[C@H]2C(=O)O)NC(=O)[C@H]([C@H](CCCCCCC(Cl)Cl)N)O |
| InChI | InChI=1S/C36H57Cl2N5O8/c1-21(2)29(40-32(46)31(45)25(39)12-9-7-8-10-14-28(37)38)34(48)42(6)30(22(3)4)35(49)41(5)27(20-23-15-17-24(44)18-16-23)33(47)43-19-11-13-26(43)36(50)51/h15-18,21-22,25-31,44-45H,7-14,19-20,39H2,1-6H3,(H,40,46)(H,50,51)/t25-,26-,27-,29-,30-,31-/m0/s1 |
| InChI Key | HTFQBZAJDJYYJL-JTLZFHFRSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C36H57Cl2N5O8 |
| Molecular Weight | 758.80 g/mol |
| Exact Mass | 757.3584192 g/mol |
| Topological Polar Surface Area (TPSA) | 194.00 Ų |
| XlogP | 2.70 |
| 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 | 99.71% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.92% | 96.09% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 97.45% | 83.82% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 97.40% | 100.00% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 94.98% | 90.24% |
| CHEMBL4072 | P07858 | Cathepsin B | 93.61% | 93.67% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 93.15% | 90.71% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.95% | 94.45% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 92.90% | 95.89% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 92.74% | 99.17% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 92.54% | 93.10% |
| CHEMBL1978 | P11511 | Cytochrome P450 19A1 | 92.52% | 91.76% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 92.33% | 95.89% |
| CHEMBL3837 | P07711 | Cathepsin L | 92.05% | 96.61% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 91.19% | 98.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.95% | 95.56% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 90.39% | 93.56% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 90.07% | 100.00% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 89.88% | 90.08% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 89.70% | 100.00% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 89.63% | 93.00% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 88.76% | 91.19% |
| CHEMBL4835 | P00338 | L-lactate dehydrogenase A chain | 87.17% | 95.34% |
| CHEMBL233 | P35372 | Mu opioid receptor | 86.75% | 97.93% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.75% | 97.09% |
| CHEMBL4101 | P17612 | cAMP-dependent protein kinase alpha-catalytic subunit | 85.36% | 82.86% |
| CHEMBL4581 | P52732 | Kinesin-like protein 1 | 85.31% | 93.18% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 84.72% | 100.00% |
| CHEMBL4361 | Q07820 | Induced myeloid leukemia cell differentiation protein Mcl-1 | 84.28% | 95.52% |
| CHEMBL249 | P25103 | Neurokinin 1 receptor | 83.12% | 99.17% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 83.04% | 92.86% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 82.21% | 94.33% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 82.09% | 98.10% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 82.07% | 90.00% |
| CHEMBL4979 | P13866 | Sodium/glucose cotransporter 1 | 81.82% | 98.24% |
| CHEMBL5852 | Q96P65 | Pyroglutamylated RFamide peptide receptor | 81.40% | 85.00% |
| CHEMBL3004 | P33527 | Multidrug resistance-associated protein 1 | 80.55% | 96.37% |
| CHEMBL1907599 | P05556 | Integrin alpha-4/beta-1 | 80.42% | 92.86% |
| CHEMBL4588 | P22894 | Matrix metalloproteinase 8 | 80.42% | 94.66% |
| CHEMBL3384 | Q16512 | Protein kinase N1 | 80.17% | 80.71% |
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.
| Entada phaseoloides |
| Prunus grayana |
| Quercus ilex |
| PubChem | 10395339 |
| LOTUS | LTS0031238 |
| wikiData | Q105331658 |