H-Ile-Glu-Phe-Phe-Thr-NH2
| Internal ID | b57daafc-674e-4acc-aa69-15111d845249 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Peptides > Oligopeptides |
| IUPAC Name | (4S)-5-[[(2S)-1-[[(2S)-1-[[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-4-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-5-oxopentanoic acid |
| SMILES (Canonical) | CCC(C)C(C(=O)NC(CCC(=O)O)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CC2=CC=CC=C2)C(=O)NC(C(C)O)C(=O)N)N |
| SMILES (Isomeric) | CC[C@H](C)[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H]([C@@H](C)O)C(=O)N)N |
| InChI | InChI=1S/C33H46N6O8/c1-4-19(2)27(34)33(47)36-23(15-16-26(41)42)30(44)37-24(17-21-11-7-5-8-12-21)31(45)38-25(18-22-13-9-6-10-14-22)32(46)39-28(20(3)40)29(35)43/h5-14,19-20,23-25,27-28,40H,4,15-18,34H2,1-3H3,(H2,35,43)(H,36,47)(H,37,44)(H,38,45)(H,39,46)(H,41,42)/t19-,20+,23-,24-,25-,27-,28-/m0/s1 |
| InChI Key | HZNADSRIMHBKEK-QCEBRQBSSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C33H46N6O8 |
| Molecular Weight | 654.80 g/mol |
| Exact Mass | 654.33771245 g/mol |
| Topological Polar Surface Area (TPSA) | 243.00 Ų |
| XlogP | -2.10 |
| 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 | 99.66% | 98.95% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 99.16% | 90.17% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 97.86% | 83.82% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.11% | 96.09% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 96.99% | 90.20% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 94.85% | 100.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 92.97% | 99.17% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 90.13% | 93.56% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 89.81% | 98.33% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 89.70% | 95.50% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.20% | 95.56% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 88.75% | 100.00% |
| CHEMBL1907594 | P30926 | Neuronal acetylcholine receptor; alpha3/beta4 | 87.36% | 97.23% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 87.04% | 97.64% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 84.54% | 91.81% |
| CHEMBL3837 | P07711 | Cathepsin L | 84.43% | 96.61% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 84.35% | 93.00% |
| CHEMBL5939 | Q9NZ08 | Endoplasmic reticulum aminopeptidase 1 | 83.22% | 100.00% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 82.16% | 96.00% |
| CHEMBL2327 | P21452 | Neurokinin 2 receptor | 81.02% | 98.89% |
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 | 10349327 |
| LOTUS | LTS0069662 |
| wikiData | Q105035765 |