YM-51084
| Internal ID | 4a933599-c2f8-4f66-8dfe-50182b91f65a |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Peptides |
| IUPAC Name | (2S)-2-[[(2R)-3-(4-hydroxyphenyl)-2-(3-methylbutanoylamino)propanoyl]amino]-3-methyl-N-[(2R)-1-oxo-3-phenylpropan-2-yl]butanamide |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C28H37N3O5/c1-18(2)14-25(34)30-24(16-21-10-12-23(33)13-11-21)27(35)31-26(19(3)4)28(36)29-22(17-32)15-20-8-6-5-7-9-20/h5-13,17-19,22,24,26,33H,14-16H2,1-4H3,(H,29,36)(H,30,34)(H,31,35)/t22-,24-,26+/m1/s1 |
| InChI Key | MWFNFXJJXCNWSP-NOOIUNMQSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C28H37N3O5 |
| Molecular Weight | 495.60 g/mol |
| Exact Mass | 495.27332129 g/mol |
| Topological Polar Surface Area (TPSA) | 125.00 Ų |
| XlogP | 2.40 |
| 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 | 99.82% | 98.95% |
| CHEMBL4072 | P07858 | Cathepsin B | 99.08% | 93.67% |
| CHEMBL3837 | P07711 | Cathepsin L | 97.75% | 96.61% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 96.17% | 90.20% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 95.16% | 99.17% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 95.11% | 90.24% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.70% | 95.56% |
| CHEMBL3891 | P07384 | Calpain 1 | 93.61% | 93.04% |
| CHEMBL1907594 | P30926 | Neuronal acetylcholine receptor; alpha3/beta4 | 93.59% | 97.23% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 93.27% | 100.00% |
| CHEMBL4801 | P29466 | Caspase-1 | 93.10% | 96.85% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 91.89% | 95.50% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 90.89% | 91.11% |
| CHEMBL2535 | P11166 | Glucose transporter | 90.51% | 98.75% |
| CHEMBL5261 | Q7L7X3 | Serine/threonine-protein kinase TAO1 | 88.68% | 89.33% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.24% | 94.45% |
| CHEMBL5701 | Q9H2K8 | Serine/threonine-protein kinase TAO3 | 84.43% | 96.67% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 84.41% | 90.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 84.18% | 96.09% |
| CHEMBL4973 | P43004 | Excitatory amino acid transporter 2 | 82.80% | 98.75% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 82.23% | 95.89% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 82.15% | 91.71% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 81.95% | 90.93% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 81.65% | 93.00% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 81.37% | 93.56% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 81.31% | 100.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 80.80% | 90.71% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 80.29% | 99.15% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 80.15% | 94.73% |
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 | 9827119 |
| LOTUS | LTS0194467 |
| wikiData | Q77512964 |