(2S)-1-[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(3R)-3-amino-10-chlorodecanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylpentanoyl]-methylamino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carboxylic acid
| Internal ID | ddd37caa-afeb-4a02-b7dc-ecb838b0fc65 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Peptides |
| IUPAC Name | (2S)-1-[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(3R)-3-amino-10-chlorodecanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylpentanoyl]-methylamino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carboxylic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C40H58ClN5O8/c1-4-26(2)36(39(52)45(3)34(24-28-15-19-31(48)20-16-28)38(51)46-22-10-12-33(46)40(53)54)44-37(50)32(23-27-13-17-30(47)18-14-27)43-35(49)25-29(42)11-8-6-5-7-9-21-41/h13-20,26,29,32-34,36,47-48H,4-12,21-25,42H2,1-3H3,(H,43,49)(H,44,50)(H,53,54)/t26-,29-,32+,33+,34+,36+/m1/s1 |
| InChI Key | HTPQUQPNAHWDPU-CKTLCDAJSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C40H58ClN5O8 |
| Molecular Weight | 772.40 g/mol |
| Exact Mass | 771.3973915 g/mol |
| Topological Polar Surface Area (TPSA) | 203.00 Ų |
| XlogP | 2.90 |
| There are no found synonyms. |
![2D Structure of (2S)-1-[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(3R)-3-amino-10-chlorodecanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylpentanoyl]-methylamino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carboxylic acid](https://plantaedb.com/storage/docs/compounds/2023/11/3d91d930-870b-11ee-b368-a1ccab164892.jpg "2D Structure of (2S)-1-[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(3R)-3-amino-10-chlorodecanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylpentanoyl]-methylamino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carboxylic acid")
| 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 | 99.83% | 98.95% |
| CHEMBL3837 | P07711 | Cathepsin L | 98.73% | 96.61% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.49% | 96.09% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 98.34% | 100.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 97.15% | 99.17% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 97.02% | 93.10% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 95.73% | 98.33% |
| CHEMBL1907594 | P30926 | Neuronal acetylcholine receptor; alpha3/beta4 | 95.65% | 97.23% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 93.98% | 91.19% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.88% | 94.45% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 93.48% | 93.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 92.09% | 90.71% |
| CHEMBL4979 | P13866 | Sodium/glucose cotransporter 1 | 91.46% | 98.24% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 91.31% | 95.89% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 90.71% | 95.17% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.60% | 95.56% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 90.48% | 100.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 90.18% | 95.89% |
| CHEMBL4101 | P17612 | cAMP-dependent protein kinase alpha-catalytic subunit | 90.03% | 82.86% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.75% | 97.09% |
| CHEMBL4123 | P30989 | Neurotensin receptor 1 | 89.29% | 96.67% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 89.01% | 97.64% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 88.49% | 99.18% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 88.31% | 93.56% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 87.99% | 91.11% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 87.63% | 90.08% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 87.47% | 89.63% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 86.09% | 96.47% |
| CHEMBL1907599 | P05556 | Integrin alpha-4/beta-1 | 85.29% | 92.86% |
| CHEMBL261 | P00915 | Carbonic anhydrase I | 84.75% | 96.76% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 84.66% | 90.20% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 83.96% | 100.00% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 83.02% | 96.95% |
| CHEMBL2535 | P11166 | Glucose transporter | 82.79% | 98.75% |
| CHEMBL4581 | P52732 | Kinesin-like protein 1 | 81.67% | 93.18% |
| CHEMBL4393 | P39900 | Matrix metalloproteinase 12 | 81.58% | 92.22% |
| CHEMBL206 | P03372 | Estrogen receptor alpha | 81.30% | 97.64% |
| CHEMBL3430907 | Q96GD4 | Aurora kinase B/Inner centromere protein | 81.22% | 97.50% |
| CHEMBL249 | P25103 | Neurokinin 1 receptor | 81.17% | 99.17% |
| CHEMBL2073 | P07947 | Tyrosine-protein kinase YES | 80.78% | 83.14% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 80.38% | 100.00% |
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 | 163104332 |
| LOTUS | LTS0133169 |
| wikiData | Q105033563 |