H-DL-xiThr-DL-Phe-DL-Phe-DL-Glu-DL-xiIle-OH
| Internal ID | 903a2da4-1bc2-43d8-8076-9be9445d7816 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Peptides |
| IUPAC Name | 2-[[2-[[2-[[2-[(2-amino-3-hydroxybutanoyl)amino]-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-4-carboxybutanoyl]amino]-3-methylpentanoic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C33H45N5O9/c1-4-19(2)28(33(46)47)38-29(42)23(15-16-26(40)41)35-30(43)24(17-21-11-7-5-8-12-21)36-31(44)25(18-22-13-9-6-10-14-22)37-32(45)27(34)20(3)39/h5-14,19-20,23-25,27-28,39H,4,15-18,34H2,1-3H3,(H,35,43)(H,36,44)(H,37,45)(H,38,42)(H,40,41)(H,46,47) |
| InChI Key | PLRYABUTEOSNOI-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C33H45N5O9 |
| Molecular Weight | 655.70 g/mol |
| Exact Mass | 655.32172803 g/mol |
| Topological Polar Surface Area (TPSA) | 237.00 Ų |
| XlogP | -0.80 |
| 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 | 99.64% | 98.95% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 99.39% | 90.17% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.29% | 96.09% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 97.11% | 90.20% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 96.86% | 83.82% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 94.13% | 99.17% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 92.80% | 100.00% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 92.19% | 98.33% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 91.02% | 93.56% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 90.99% | 95.50% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.94% | 95.56% |
| CHEMBL1907594 | P30926 | Neuronal acetylcholine receptor; alpha3/beta4 | 87.63% | 97.23% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 87.48% | 100.00% |
| CHEMBL3837 | P07711 | Cathepsin L | 84.77% | 96.61% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 83.22% | 94.73% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 82.04% | 96.00% |
| CHEMBL4662 | P28074 | Proteasome Macropain subunit MB1 | 80.99% | 93.85% |
| CHEMBL1781 | P11387 | DNA topoisomerase I | 80.68% | 97.00% |
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 | 162934195 |
| LOTUS | LTS0061805 |
| wikiData | Q105211171 |