(2S)-1-[(2S)-3-[[(E,4S)-4-[[(2R)-2-amino-3-phenylpropanoyl]amino]-5-(4-hydroxyphenyl)pent-2-enoyl]amino]-2-formamidopropanoyl]pyrrolidine-2-carboxamide
| Internal ID | 71a00b6e-9ba9-4aa6-bcc6-4bc4885db5b2 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Alpha amino acids and derivatives > Alpha amino acid amides |
| IUPAC Name | (2S)-1-[(2S)-3-[[(E,4S)-4-[[(2R)-2-amino-3-phenylpropanoyl]amino]-5-(4-hydroxyphenyl)pent-2-enoyl]amino]-2-formamidopropanoyl]pyrrolidine-2-carboxamide |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C29H36N6O6/c30-23(16-19-5-2-1-3-6-19)28(40)34-21(15-20-8-11-22(37)12-9-20)10-13-26(38)32-17-24(33-18-36)29(41)35-14-4-7-25(35)27(31)39/h1-3,5-6,8-13,18,21,23-25,37H,4,7,14-17,30H2,(H2,31,39)(H,32,38)(H,33,36)(H,34,40)/b13-10+/t21-,23-,24+,25+/m1/s1 |
| InChI Key | RCIDYXROFLLKED-GBUQLMHESA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C29H36N6O6 |
| Molecular Weight | 564.60 g/mol |
| Exact Mass | 564.26963289 g/mol |
| Topological Polar Surface Area (TPSA) | 197.00 Ų |
| XlogP | 0.20 |
| There are no found synonyms. |
![2D Structure of (2S)-1-[(2S)-3-[[(E,4S)-4-[[(2R)-2-amino-3-phenylpropanoyl]amino]-5-(4-hydroxyphenyl)pent-2-enoyl]amino]-2-formamidopropanoyl]pyrrolidine-2-carboxamide](https://plantaedb.com/storage/docs/compounds/2023/11/46f900d0-83f0-11ee-bcf5-bb1cb7d639d5.jpg "2D Structure of (2S)-1-[(2S)-3-[[(E,4S)-4-[[(2R)-2-amino-3-phenylpropanoyl]amino]-5-(4-hydroxyphenyl)pent-2-enoyl]amino]-2-formamidopropanoyl]pyrrolidine-2-carboxamide")
| 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 | 99.60% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.79% | 96.09% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 95.51% | 100.00% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 95.33% | 98.33% |
| CHEMBL4394 | Q9NYA1 | Sphingosine kinase 1 | 94.83% | 96.03% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.03% | 94.45% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.79% | 95.56% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.49% | 91.11% |
| CHEMBL233 | P35372 | Mu opioid receptor | 92.80% | 97.93% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 92.56% | 97.21% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 91.65% | 97.64% |
| CHEMBL4979 | P13866 | Sodium/glucose cotransporter 1 | 91.06% | 98.24% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 90.90% | 90.20% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 89.01% | 95.89% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 88.76% | 93.00% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 88.20% | 93.56% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 87.28% | 95.89% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 87.04% | 91.19% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 86.48% | 99.17% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 86.39% | 95.50% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 86.15% | 97.14% |
| CHEMBL1808 | P12821 | Angiotensin-converting enzyme | 85.75% | 93.39% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 85.68% | 100.00% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 85.58% | 100.00% |
| CHEMBL2327 | P21452 | Neurokinin 2 receptor | 85.42% | 98.89% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.20% | 97.09% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 84.92% | 96.95% |
| CHEMBL216 | P11229 | Muscarinic acetylcholine receptor M1 | 84.92% | 94.23% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 84.22% | 82.69% |
| CHEMBL2073 | P07947 | Tyrosine-protein kinase YES | 83.09% | 83.14% |
| CHEMBL5701 | Q9H2K8 | Serine/threonine-protein kinase TAO3 | 83.06% | 96.67% |
| CHEMBL249 | P25103 | Neurokinin 1 receptor | 82.72% | 99.17% |
| CHEMBL2535 | P11166 | Glucose transporter | 82.41% | 98.75% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 81.72% | 94.62% |
| CHEMBL5261 | Q7L7X3 | Serine/threonine-protein kinase TAO1 | 81.06% | 89.33% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 81.01% | 86.33% |
| CHEMBL3837 | P07711 | Cathepsin L | 80.50% | 96.61% |
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 | 10698183 |
| LOTUS | LTS0055869 |
| wikiData | Q105233644 |