H-bAla(2S-OH,3R-Bn)-Val-Pro-Hyp-OH
| Internal ID | d9cc83b0-5546-46d9-a21c-9f63576a8446 |
| Taxonomy | Organic acids and derivatives > Peptidomimetics > Hybrid peptides |
| IUPAC Name | (2S,4R)-1-[(2S)-1-[(2S)-2-[[(2S,3R)-3-amino-2-hydroxy-4-phenylbutanoyl]amino]-3-methylbutanoyl]pyrrolidine-2-carbonyl]-4-hydroxypyrrolidine-2-carboxylic acid |
| SMILES (Canonical) | CC(C)C(C(=O)N1CCCC1C(=O)N2CC(CC2C(=O)O)O)NC(=O)C(C(CC3=CC=CC=C3)N)O |
| SMILES (Isomeric) | CC(C)[C@@H](C(=O)N1CCC[C@H]1C(=O)N2C[C@@H](C[C@H]2C(=O)O)O)NC(=O)[C@H]([C@@H](CC3=CC=CC=C3)N)O |
| InChI | InChI=1S/C25H36N4O7/c1-14(2)20(27-22(32)21(31)17(26)11-15-7-4-3-5-8-15)24(34)28-10-6-9-18(28)23(33)29-13-16(30)12-19(29)25(35)36/h3-5,7-8,14,16-21,30-31H,6,9-13,26H2,1-2H3,(H,27,32)(H,35,36)/t16-,17-,18+,19+,20+,21+/m1/s1 |
| InChI Key | SWITUXFHGUGTCX-OFELHODLSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C25H36N4O7 |
| Molecular Weight | 504.60 g/mol |
| Exact Mass | 504.25839950 g/mol |
| Topological Polar Surface Area (TPSA) | 174.00 Ų |
| XlogP | -2.20 |
| 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 | 99.46% | 98.95% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 98.42% | 90.17% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 98.03% | 83.82% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.23% | 96.09% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 96.65% | 98.33% |
| CHEMBL4394 | Q9NYA1 | Sphingosine kinase 1 | 92.08% | 96.03% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 92.03% | 100.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 91.47% | 95.89% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.29% | 95.56% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 90.37% | 90.71% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 88.91% | 97.64% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.30% | 97.09% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 86.99% | 95.89% |
| CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 85.36% | 95.58% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 85.26% | 100.00% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 85.23% | 93.56% |
| CHEMBL5028 | O14672 | ADAM10 | 84.58% | 97.50% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 83.52% | 100.00% |
| CHEMBL3202 | P48147 | Prolyl endopeptidase | 83.03% | 90.65% |
| CHEMBL2327 | P21452 | Neurokinin 2 receptor | 82.39% | 98.89% |
| CHEMBL274 | P51681 | C-C chemokine receptor type 5 | 81.23% | 98.77% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 80.55% | 93.00% |
| CHEMBL4979 | P13866 | Sodium/glucose cotransporter 1 | 80.42% | 98.24% |
| CHEMBL1907599 | P05556 | Integrin alpha-4/beta-1 | 80.19% | 92.86% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 80.09% | 90.00% |
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 | 10346011 |
| LOTUS | LTS0054356 |
| wikiData | Q105262703 |