H-Gly-DL-Tyr-DL-Ser-DL-Asp-DL-Pro-DL-Tyr-DL-Asp-OH
| Internal ID | c079f9d4-dfe5-4860-b4e7-9d9cffbc7bc1 |
| Taxonomy | Organic acids and derivatives > Peptidomimetics > Hybrid peptides |
| IUPAC Name | 2-[[2-[[1-[2-[[2-[[2-[(2-aminoacetyl)amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]butanedioic acid |
| SMILES (Canonical) | C1CC(N(C1)C(=O)C(CC(=O)O)NC(=O)C(CO)NC(=O)C(CC2=CC=C(C=C2)O)NC(=O)CN)C(=O)NC(CC3=CC=C(C=C3)O)C(=O)NC(CC(=O)O)C(=O)O |
| SMILES (Isomeric) | C1CC(N(C1)C(=O)C(CC(=O)O)NC(=O)C(CO)NC(=O)C(CC2=CC=C(C=C2)O)NC(=O)CN)C(=O)NC(CC3=CC=C(C=C3)O)C(=O)NC(CC(=O)O)C(=O)O |
| InChI | InChI=1S/C36H45N7O15/c37-16-28(47)38-22(12-18-3-7-20(45)8-4-18)31(52)42-26(17-44)33(54)40-24(14-29(48)49)35(56)43-11-1-2-27(43)34(55)39-23(13-19-5-9-21(46)10-6-19)32(53)41-25(36(57)58)15-30(50)51/h3-10,22-27,44-46H,1-2,11-17,37H2,(H,38,47)(H,39,55)(H,40,54)(H,41,53)(H,42,52)(H,48,49)(H,50,51)(H,57,58) |
| InChI Key | DUKAMBGGHGCHRO-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C36H45N7O15 |
| Molecular Weight | 815.80 g/mol |
| Exact Mass | 815.29736375 g/mol |
| Topological Polar Surface Area (TPSA) | 364.00 Ų |
| XlogP | -4.90 |
| 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 | 99.31% | 98.95% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 98.55% | 93.10% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 97.86% | 90.20% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 97.39% | 100.00% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 96.44% | 98.33% |
| CHEMBL4123 | P30989 | Neurotensin receptor 1 | 96.30% | 96.67% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 96.17% | 97.09% |
| CHEMBL1907594 | P30926 | Neuronal acetylcholine receptor; alpha3/beta4 | 95.86% | 97.23% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.28% | 96.09% |
| CHEMBL3837 | P07711 | Cathepsin L | 94.37% | 96.61% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.30% | 94.45% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 94.30% | 99.17% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 93.74% | 91.19% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.83% | 91.11% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 91.73% | 100.00% |
| CHEMBL4101 | P17612 | cAMP-dependent protein kinase alpha-catalytic subunit | 90.31% | 82.86% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 90.16% | 82.69% |
| CHEMBL4979 | P13866 | Sodium/glucose cotransporter 1 | 89.64% | 98.24% |
| CHEMBL2319 | P06870 | Kallikrein 1 | 89.35% | 90.95% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 89.13% | 93.00% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 88.99% | 96.95% |
| CHEMBL4394 | Q9NYA1 | Sphingosine kinase 1 | 88.91% | 96.03% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 88.14% | 90.71% |
| CHEMBL1873 | P00750 | Tissue-type plasminogen activator | 87.61% | 93.33% |
| CHEMBL4777 | P25929 | Neuropeptide Y receptor type 1 | 87.59% | 96.67% |
| CHEMBL2073 | P07947 | Tyrosine-protein kinase YES | 86.90% | 83.14% |
| CHEMBL4801 | P29466 | Caspase-1 | 86.64% | 96.85% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.64% | 95.89% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 86.20% | 97.21% |
| CHEMBL3437 | Q16853 | Amine oxidase, copper containing | 86.00% | 94.00% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 86.00% | 95.89% |
| CHEMBL5261 | Q7L7X3 | Serine/threonine-protein kinase TAO1 | 85.89% | 89.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.35% | 95.56% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 85.16% | 98.10% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 85.01% | 97.64% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 84.24% | 99.15% |
| CHEMBL3024 | P53350 | Serine/threonine-protein kinase PLK1 | 83.80% | 97.43% |
| CHEMBL2492 | P36544 | Neuronal acetylcholine receptor protein alpha-7 subunit | 82.23% | 88.42% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 82.18% | 89.63% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 81.27% | 97.14% |
| CHEMBL2095164 | P49354 | Geranylgeranyl transferase type I | 81.08% | 92.80% |
| CHEMBL249 | P25103 | Neurokinin 1 receptor | 80.78% | 99.17% |
| CHEMBL236 | P41143 | Delta opioid receptor | 80.53% | 99.35% |
| CHEMBL5701 | Q9H2K8 | Serine/threonine-protein kinase TAO3 | 80.48% | 96.67% |
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.
| Phytolacca americana |
| PubChem | 162887858 |
| LOTUS | LTS0225779 |
| wikiData | Q104989276 |