butanoyl-DL-N(Me)Val-DL-Pro-DL-N(Me)Phe-DL-Leu-DL-N(Me)Val-Unk
| Internal ID | c7f11fbc-901c-47cc-b2e2-a99a8998257a |
| Taxonomy | Organic acids and derivatives > Peptidomimetics > Hybrid peptides |
| IUPAC Name | 1-[2-[butanoyl(methyl)amino]-3-methylbutanoyl]-N-methyl-N-[1-[[4-methyl-1-[methyl-[3-methyl-1-[methyl(1,3-thiazol-2-ylmethyl)amino]-1-oxobutan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide |
| SMILES (Canonical) | CCCC(=O)N(C)C(C(C)C)C(=O)N1CCCC1C(=O)N(C)C(CC2=CC=CC=C2)C(=O)NC(CC(C)C)C(=O)N(C)C(C(C)C)C(=O)N(C)CC3=NC=CS3 |
| SMILES (Isomeric) | CCCC(=O)N(C)C(C(C)C)C(=O)N1CCCC1C(=O)N(C)C(CC2=CC=CC=C2)C(=O)NC(CC(C)C)C(=O)N(C)C(C(C)C)C(=O)N(C)CC3=NC=CS3 |
| InChI | InChI=1S/C42H65N7O6S/c1-12-17-35(50)47(10)37(29(6)7)42(55)49-22-16-20-32(49)40(53)46(9)33(25-30-18-14-13-15-19-30)38(51)44-31(24-27(2)3)39(52)48(11)36(28(4)5)41(54)45(8)26-34-43-21-23-56-34/h13-15,18-19,21,23,27-29,31-33,36-37H,12,16-17,20,22,24-26H2,1-11H3,(H,44,51) |
| InChI Key | XNASEKUWNLNRSN-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C42H65N7O6S |
| Molecular Weight | 796.10 g/mol |
| Exact Mass | 795.47170399 g/mol |
| Topological Polar Surface Area (TPSA) | 172.00 Ų |
| XlogP | 5.50 |
| 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 | 99.90% | 98.95% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 99.40% | 90.17% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 99.28% | 96.09% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 99.01% | 98.33% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 97.04% | 93.10% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 96.24% | 90.24% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 96.11% | 97.64% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 94.56% | 93.56% |
| CHEMBL4979 | P13866 | Sodium/glucose cotransporter 1 | 93.40% | 98.24% |
| CHEMBL3837 | P07711 | Cathepsin L | 91.34% | 96.61% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 91.28% | 100.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 91.28% | 90.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 90.27% | 99.17% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 89.65% | 93.00% |
| CHEMBL1907599 | P05556 | Integrin alpha-4/beta-1 | 89.14% | 92.86% |
| CHEMBL3202 | P48147 | Prolyl endopeptidase | 89.08% | 90.65% |
| CHEMBL268 | P43235 | Cathepsin K | 88.09% | 96.85% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 87.86% | 97.14% |
| CHEMBL3430907 | Q96GD4 | Aurora kinase B/Inner centromere protein | 87.68% | 97.50% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.44% | 95.56% |
| CHEMBL332 | P03956 | Matrix metalloproteinase-1 | 85.54% | 94.50% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 85.11% | 91.19% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 85.08% | 95.50% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 85.00% | 100.00% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 84.46% | 100.00% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 83.95% | 95.89% |
| CHEMBL4393 | P39900 | Matrix metalloproteinase 12 | 83.76% | 92.22% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 83.75% | 90.08% |
| CHEMBL4835 | P00338 | L-lactate dehydrogenase A chain | 83.22% | 95.34% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 82.82% | 99.23% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 82.79% | 96.00% |
| CHEMBL3902 | P09211 | Glutathione S-transferase Pi | 81.78% | 93.81% |
| CHEMBL1944495 | P28065 | Proteasome subunit beta type-9 | 81.76% | 97.50% |
| CHEMBL1741221 | Q9Y4P1 | Cysteine protease ATG4B | 81.39% | 87.50% |
| CHEMBL5028 | O14672 | ADAM10 | 80.86% | 97.50% |
| CHEMBL2801 | Q13557 | CaM kinase II delta | 80.85% | 84.49% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 80.61% | 90.71% |
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.
| Cephalanthus occidentalis |
| Uncaria lanosa |
| Uncaria tomentosa |
| PubChem | 162815877 |
| LOTUS | LTS0175412 |
| wikiData | Q105131432 |