H-Trp-Ile-Val-Leu-Arg-OH
| Internal ID | d759532b-c508-4ed6-a2ae-b7c0bb93e337 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Peptides |
| IUPAC Name | (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]-3-methylpentanoyl]amino]-3-methylbutanoyl]amino]-4-methylpentanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid |
| SMILES (Canonical) | CCC(C)C(C(=O)NC(C(C)C)C(=O)NC(CC(C)C)C(=O)NC(CCCN=C(N)N)C(=O)O)NC(=O)C(CC1=CNC2=CC=CC=C21)N |
| SMILES (Isomeric) | CC[C@H](C)[C@@H](C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)NC(=O)[C@H](CC1=CNC2=CC=CC=C21)N |
| InChI | InChI=1S/C34H55N9O6/c1-7-20(6)28(43-29(44)23(35)16-21-17-39-24-12-9-8-11-22(21)24)32(47)42-27(19(4)5)31(46)41-26(15-18(2)3)30(45)40-25(33(48)49)13-10-14-38-34(36)37/h8-9,11-12,17-20,23,25-28,39H,7,10,13-16,35H2,1-6H3,(H,40,45)(H,41,46)(H,42,47)(H,43,44)(H,48,49)(H4,36,37,38)/t20-,23-,25-,26-,27-,28-/m0/s1 |
| InChI Key | YEDKWJKZUPWFIU-NQGZQRGVSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C34H55N9O6 |
| Molecular Weight | 685.90 g/mol |
| Exact Mass | 685.42753051 g/mol |
| Topological Polar Surface Area (TPSA) | 260.00 Ų |
| XlogP | -1.20 |
| 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 |
|---|---|---|---|---|
| CHEMBL3837 | P07711 | Cathepsin L | 99.83% | 96.61% |
| CHEMBL2581 | P07339 | Cathepsin D | 99.70% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.17% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.10% | 96.09% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 97.52% | 93.56% |
| CHEMBL4072 | P07858 | Cathepsin B | 96.72% | 93.67% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.48% | 95.56% |
| CHEMBL3830 | Q2M2I8 | Adaptor-associated kinase | 94.60% | 83.10% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 93.76% | 98.33% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 91.97% | 100.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 91.79% | 99.17% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 91.75% | 100.00% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 91.51% | 90.17% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 91.39% | 96.00% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 90.46% | 90.20% |
| CHEMBL2535 | P11166 | Glucose transporter | 90.34% | 98.75% |
| CHEMBL5939 | Q9NZ08 | Endoplasmic reticulum aminopeptidase 1 | 87.62% | 100.00% |
| CHEMBL3776 | Q14790 | Caspase-8 | 87.40% | 97.06% |
| CHEMBL1808 | P12821 | Angiotensin-converting enzyme | 87.14% | 93.39% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 86.95% | 100.00% |
| CHEMBL1907594 | P30926 | Neuronal acetylcholine receptor; alpha3/beta4 | 86.55% | 97.23% |
| CHEMBL5028 | O14672 | ADAM10 | 86.15% | 97.50% |
| CHEMBL1287628 | Q9Y5S8 | NADPH oxidase 1 | 85.86% | 95.48% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 84.90% | 98.59% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 83.16% | 93.03% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 83.00% | 88.56% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 82.57% | 91.81% |
| CHEMBL2492 | P36544 | Neuronal acetylcholine receptor protein alpha-7 subunit | 82.56% | 88.42% |
| CHEMBL2095164 | P49354 | Geranylgeranyl transferase type I | 82.36% | 92.80% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 82.25% | 94.45% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 82.10% | 89.62% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 81.98% | 97.64% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 81.64% | 96.47% |
| CHEMBL3155 | P34969 | Serotonin 7 (5-HT7) receptor | 81.49% | 90.71% |
| CHEMBL3308 | P55212 | Caspase-6 | 81.30% | 97.56% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 80.31% | 97.21% |
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 | 163189436 |
| LOTUS | LTS0117607 |
| wikiData | Q105347175 |