H-bAla(2R-OH,3R-Bn)-Val-Pro-D-Pro-OH
| Internal ID | 57e9a336-b369-4180-80e7-646482a9fdde |
| Taxonomy | Organic acids and derivatives > Peptidomimetics > Hybrid peptides |
| IUPAC Name | (2R)-1-[(2S)-1-[(2S)-2-[[(2R,3R)-3-amino-2-hydroxy-4-phenylbutanoyl]amino]-3-methylbutanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid |
| SMILES (Canonical) | CC(C)C(C(=O)N1CCCC1C(=O)N2CCCC2C(=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)N2CCC[C@@H]2C(=O)O)NC(=O)[C@@H]([C@@H](CC3=CC=CC=C3)N)O |
| InChI | InChI=1S/C25H36N4O6/c1-15(2)20(27-22(31)21(30)17(26)14-16-8-4-3-5-9-16)24(33)28-12-6-10-18(28)23(32)29-13-7-11-19(29)25(34)35/h3-5,8-9,15,17-21,30H,6-7,10-14,26H2,1-2H3,(H,27,31)(H,34,35)/t17-,18+,19-,20+,21-/m1/s1 |
| InChI Key | ZLNGLBIUHZXFQA-VIYGXFRKSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C25H36N4O6 |
| Molecular Weight | 488.60 g/mol |
| Exact Mass | 488.26348488 g/mol |
| Topological Polar Surface Area (TPSA) | 153.00 Ų |
| XlogP | -1.20 |
| 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 | 99.48% | 98.95% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 96.95% | 90.17% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.30% | 96.09% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 95.74% | 98.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.08% | 95.56% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 90.60% | 95.89% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 89.68% | 100.00% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 89.39% | 83.82% |
| CHEMBL3202 | P48147 | Prolyl endopeptidase | 89.10% | 90.65% |
| CHEMBL4979 | P13866 | Sodium/glucose cotransporter 1 | 88.65% | 98.24% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 87.17% | 97.64% |
| CHEMBL4072 | P07858 | Cathepsin B | 85.88% | 93.67% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 85.67% | 90.71% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 85.25% | 90.00% |
| CHEMBL1907599 | P05556 | Integrin alpha-4/beta-1 | 85.04% | 92.86% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 84.96% | 95.89% |
| CHEMBL5028 | O14672 | ADAM10 | 84.91% | 97.50% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 83.92% | 94.45% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 83.85% | 100.00% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 82.92% | 100.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 82.62% | 97.09% |
| CHEMBL4394 | Q9NYA1 | Sphingosine kinase 1 | 82.14% | 96.03% |
| CHEMBL4393 | P39900 | Matrix metalloproteinase 12 | 82.03% | 92.22% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 81.83% | 90.24% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 81.78% | 89.63% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 81.48% | 93.56% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 81.47% | 93.03% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 81.01% | 93.31% |
| CHEMBL2327 | P21452 | Neurokinin 2 receptor | 80.64% | 98.89% |
| CHEMBL3384 | Q16512 | Protein kinase N1 | 80.55% | 80.71% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 80.46% | 97.25% |
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 | 163009867 |
| LOTUS | LTS0128790 |
| wikiData | Q105378993 |