GameXPeptide H
| Internal ID | 6f881132-8c9d-40b6-bd83-30d7c5fab104 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Peptides > Cyclic peptides |
| IUPAC Name | (3R,6S,9R,12S,15R)-3-[[4-(methylamino)phenyl]methyl]-6,9,12,15-tetrakis(2-methylpropyl)-1,4,7,10,13-pentazacyclopentadecane-2,5,8,11,14-pentone |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C34H56N6O5/c1-19(2)14-25-30(41)36-26(15-20(3)4)31(42)38-28(17-22(7)8)33(44)40-29(18-23-10-12-24(35-9)13-11-23)34(45)39-27(16-21(5)6)32(43)37-25/h10-13,19-22,25-29,35H,14-18H2,1-9H3,(H,36,41)(H,37,43)(H,38,42)(H,39,45)(H,40,44)/t25-,26+,27+,28-,29+/m0/s1 |
| InChI Key | YYMQGHBVKFGSOI-MLZSXWJDSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C34H56N6O5 |
| Molecular Weight | 628.80 g/mol |
| Exact Mass | 628.43121891 g/mol |
| Topological Polar Surface Area (TPSA) | 158.00 Ų |
| XlogP | 5.60 |
| 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 |
|---|---|---|---|---|
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.32% | 94.45% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 95.76% | 83.82% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.08% | 98.95% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 91.88% | 92.88% |
| CHEMBL1907594 | P30926 | Neuronal acetylcholine receptor; alpha3/beta4 | 89.32% | 97.23% |
| CHEMBL2179 | P04062 | Beta-glucocerebrosidase | 88.48% | 85.31% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.10% | 95.56% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 87.76% | 94.73% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 87.11% | 96.09% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 86.09% | 94.75% |
| CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 83.32% | 95.71% |
| CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 81.77% | 95.83% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 81.76% | 90.08% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 81.75% | 96.90% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 81.55% | 90.71% |
| CHEMBL3830 | Q2M2I8 | Adaptor-associated kinase | 81.15% | 83.10% |
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 | 139588731 |
| LOTUS | LTS0162232 |
| wikiData | Q105368764 |