Me-bAla(2-OH,3-heptyl)-DL-Val-DL-N(Me)Val-DL-N(Me)Tyr-DL-Tyr-OH
| Internal ID | 37967fe6-4057-439b-bb6a-b399004df95a |
| Taxonomy | Organic acids and derivatives > Peptidomimetics > Hybrid peptides |
| IUPAC Name | 2-[[2-[[2-[[2-[[2-hydroxy-3-(methylamino)decanoyl]amino]-3-methylbutanoyl]-methylamino]-3-methylbutanoyl]-methylamino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C41H63N5O9/c1-9-10-11-12-13-14-31(42-6)36(49)38(51)44-34(25(2)3)39(52)46(8)35(26(4)5)40(53)45(7)33(24-28-17-21-30(48)22-18-28)37(50)43-32(41(54)55)23-27-15-19-29(47)20-16-27/h15-22,25-26,31-36,42,47-49H,9-14,23-24H2,1-8H3,(H,43,50)(H,44,51)(H,54,55) |
| InChI Key | ZMXDUWZRGQQFIH-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C41H63N5O9 |
| Molecular Weight | 770.00 g/mol |
| Exact Mass | 769.46257860 g/mol |
| Topological Polar Surface Area (TPSA) | 209.00 Ų |
| XlogP | 3.70 |
| 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 | 99.92% | 98.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 98.48% | 99.17% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.54% | 96.09% |
| CHEMBL3837 | P07711 | Cathepsin L | 96.50% | 96.61% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 96.02% | 93.56% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 94.22% | 100.00% |
| CHEMBL4072 | P07858 | Cathepsin B | 93.03% | 93.67% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 92.17% | 90.20% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 91.65% | 100.00% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 91.48% | 97.29% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 90.71% | 92.86% |
| CHEMBL2345 | P51812 | Ribosomal protein S6 kinase alpha 3 | 90.05% | 95.64% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 89.09% | 90.71% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.17% | 95.56% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 88.10% | 92.08% |
| CHEMBL256 | P0DMS8 | Adenosine A3 receptor | 88.06% | 95.93% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 88.02% | 100.00% |
| CHEMBL3976 | Q9UHL4 | Dipeptidyl peptidase II | 88.00% | 92.29% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 87.86% | 100.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.83% | 94.45% |
| CHEMBL3004 | P33527 | Multidrug resistance-associated protein 1 | 87.31% | 96.37% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 87.13% | 93.10% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 87.05% | 95.89% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 86.72% | 95.50% |
| CHEMBL236 | P41143 | Delta opioid receptor | 86.58% | 99.35% |
| CHEMBL268 | P43235 | Cathepsin K | 85.90% | 96.85% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 85.28% | 94.73% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 84.74% | 90.17% |
| CHEMBL1944 | P08473 | Neprilysin | 84.24% | 92.63% |
| CHEMBL5261 | Q7L7X3 | Serine/threonine-protein kinase TAO1 | 84.05% | 89.33% |
| CHEMBL3891 | P07384 | Calpain 1 | 83.46% | 93.04% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 82.76% | 83.82% |
| CHEMBL1907594 | P30926 | Neuronal acetylcholine receptor; alpha3/beta4 | 82.50% | 97.23% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 81.57% | 93.00% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 81.46% | 96.90% |
| CHEMBL3308 | P55212 | Caspase-6 | 81.17% | 97.56% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 81.15% | 85.11% |
| CHEMBL1293316 | Q9HBX9 | Relaxin receptor 1 | 81.03% | 82.50% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 80.07% | 90.08% |
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 | 73836971 |
| LOTUS | LTS0222150 |
| wikiData | Q104202584 |