H-Val-Ala-Ile-Gln-Met-OH
| Internal ID | ad3b2492-7cd9-4850-9ae4-1b38371e10fb |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Peptides |
| IUPAC Name | (2S)-2-[[(2S)-5-amino-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]propanoyl]amino]-3-methylpentanoyl]amino]-5-oxopentanoyl]amino]-4-methylsulfanylbutanoic acid |
| SMILES (Canonical) | CCC(C)C(C(=O)NC(CCC(=O)N)C(=O)NC(CCSC)C(=O)O)NC(=O)C(C)NC(=O)C(C(C)C)N |
| SMILES (Isomeric) | CC[C@H](C)[C@@H](C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCSC)C(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](C(C)C)N |
| InChI | InChI=1S/C24H44N6O7S/c1-7-13(4)19(30-20(32)14(5)27-22(34)18(26)12(2)3)23(35)28-15(8-9-17(25)31)21(33)29-16(24(36)37)10-11-38-6/h12-16,18-19H,7-11,26H2,1-6H3,(H2,25,31)(H,27,34)(H,28,35)(H,29,33)(H,30,32)(H,36,37)/t13-,14-,15-,16-,18-,19-/m0/s1 |
| InChI Key | ZCNCXMBCCTWJIO-USOAJAOKSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C24H44N6O7S |
| Molecular Weight | 560.70 g/mol |
| Exact Mass | 560.29921894 g/mol |
| Topological Polar Surface Area (TPSA) | 248.00 Ų |
| XlogP | -3.60 |
| 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 |
|---|---|---|---|---|
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 99.89% | 83.82% |
| CHEMBL2581 | P07339 | Cathepsin D | 98.05% | 98.95% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 97.42% | 93.56% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 95.53% | 100.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.95% | 96.09% |
| CHEMBL236 | P41143 | Delta opioid receptor | 94.90% | 99.35% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 94.88% | 90.17% |
| CHEMBL1907594 | P30926 | Neuronal acetylcholine receptor; alpha3/beta4 | 93.63% | 97.23% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 93.55% | 100.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 92.61% | 99.17% |
| CHEMBL3776 | Q14790 | Caspase-8 | 91.42% | 97.06% |
| CHEMBL4018 | P49146 | Neuropeptide Y receptor type 2 | 90.15% | 98.94% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 89.35% | 98.33% |
| CHEMBL3308 | P55212 | Caspase-6 | 88.00% | 97.56% |
| CHEMBL4801 | P29466 | Caspase-1 | 87.30% | 96.85% |
| CHEMBL3286 | P00749 | Urokinase-type plasminogen activator | 86.14% | 97.88% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 86.05% | 89.50% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 85.45% | 93.00% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 85.43% | 96.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 85.36% | 90.71% |
| CHEMBL2094135 | Q96BI3 | Gamma-secretase | 85.02% | 98.05% |
| CHEMBL2001 | Q9H244 | Purinergic receptor P2Y12 | 84.82% | 96.00% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 83.40% | 96.47% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 82.91% | 89.63% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 82.33% | 95.38% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 82.24% | 91.19% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 81.98% | 100.00% |
| CHEMBL2208 | P49137 | MAP kinase-activated protein kinase 2 | 81.52% | 95.20% |
| CHEMBL3018 | Q9Y5Y6 | Matriptase | 81.14% | 98.33% |
| CHEMBL3392948 | Q9NP59 | Solute carrier family 40 member 1 | 80.95% | 95.00% |
| CHEMBL2095164 | P49354 | Geranylgeranyl transferase type I | 80.46% | 92.80% |
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 | 162979848 |
| LOTUS | LTS0219789 |
| wikiData | Q105371277 |