H-Tyr-Ile-Glu-Asn-Gln-Val-Lys-OH
| Internal ID | 2bc74efa-f288-46dc-9376-75cfa8aefc55 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Peptides |
| IUPAC Name | (2S)-6-amino-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylpentanoyl]amino]-4-carboxybutanoyl]amino]-4-oxobutanoyl]amino]-5-oxopentanoyl]amino]-3-methylbutanoyl]amino]hexanoic acid |
| SMILES (Canonical) | CCC(C)C(C(=O)NC(CCC(=O)O)C(=O)NC(CC(=O)N)C(=O)NC(CCC(=O)N)C(=O)NC(C(C)C)C(=O)NC(CCCCN)C(=O)O)NC(=O)C(CC1=CC=C(C=C1)O)N |
| SMILES (Isomeric) | CC[C@H](C)[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)O)NC(=O)[C@H](CC1=CC=C(C=C1)O)N |
| InChI | InChI=1S/C40H64N10O13/c1-5-21(4)33(50-34(56)24(42)18-22-9-11-23(51)12-10-22)39(61)46-26(14-16-31(54)55)35(57)48-28(19-30(44)53)37(59)45-25(13-15-29(43)52)36(58)49-32(20(2)3)38(60)47-27(40(62)63)8-6-7-17-41/h9-12,20-21,24-28,32-33,51H,5-8,13-19,41-42H2,1-4H3,(H2,43,52)(H2,44,53)(H,45,59)(H,46,61)(H,47,60)(H,48,57)(H,49,58)(H,50,56)(H,54,55)(H,62,63)/t21-,24-,25-,26-,27-,28-,32-,33-/m0/s1 |
| InChI Key | YYNGYAXOWMFESR-FFOMZBGPSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C40H64N10O13 |
| Molecular Weight | 893.00 g/mol |
| Exact Mass | 892.46543213 g/mol |
| Topological Polar Surface Area (TPSA) | 408.00 Ų |
| XlogP | -6.70 |
| 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 | 99.78% | 98.95% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 98.27% | 100.00% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 97.83% | 97.21% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 97.82% | 90.20% |
| CHEMBL1907594 | P30926 | Neuronal acetylcholine receptor; alpha3/beta4 | 97.70% | 97.23% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 97.61% | 99.17% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.56% | 96.09% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 96.76% | 93.56% |
| CHEMBL236 | P41143 | Delta opioid receptor | 95.39% | 99.35% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 95.23% | 100.00% |
| CHEMBL4018 | P49146 | Neuropeptide Y receptor type 2 | 95.20% | 98.94% |
| CHEMBL3776 | Q14790 | Caspase-8 | 94.74% | 97.06% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.22% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.96% | 94.45% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 91.32% | 95.50% |
| CHEMBL5852 | Q96P65 | Pyroglutamylated RFamide peptide receptor | 91.32% | 85.00% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 91.04% | 93.00% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 89.74% | 90.17% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 89.30% | 93.10% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 88.15% | 98.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.63% | 95.56% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 86.53% | 100.00% |
| CHEMBL249 | P25103 | Neurokinin 1 receptor | 85.81% | 99.17% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 85.27% | 90.71% |
| CHEMBL1808 | P12821 | Angiotensin-converting enzyme | 85.23% | 93.39% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 85.10% | 96.00% |
| CHEMBL3837 | P07711 | Cathepsin L | 84.36% | 96.61% |
| CHEMBL1293287 | P14735 | Insulin-degrading enzyme | 84.10% | 88.10% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 83.66% | 91.19% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 83.48% | 82.69% |
| CHEMBL3230 | O95977 | Sphingosine 1-phosphate receptor Edg-6 | 83.38% | 94.01% |
| CHEMBL3976 | Q9UHL4 | Dipeptidyl peptidase II | 82.75% | 92.29% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 82.37% | 96.95% |
| CHEMBL4296013 | Q5VWK5 | Interleukin-23 receptor | 82.11% | 88.00% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 81.75% | 95.89% |
| CHEMBL4816 | Q9Y243 | Serine/threonine-protein kinase AKT3 | 81.10% | 96.28% |
| CHEMBL3437 | Q16853 | Amine oxidase, copper containing | 80.46% | 94.00% |
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.
| Phytolacca americana |
| PubChem | 163009738 |
| LOTUS | LTS0247982 |
| wikiData | Q105368776 |