H-DL-Leu-DL-Arg-DL-Arg-DL-Asn-DL-Asn-DL-Leu-DL-Tyr-DL-Val-DL-Met-OH
| Internal ID | 4a22e9ad-cb95-4780-9ab3-650abd3e84db |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Peptides |
| IUPAC Name | 2-[[2-[[2-[[2-[[4-amino-2-[[4-amino-2-[[2-[[2-[(2-amino-4-methylpentanoyl)amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-4-oxobutanoyl]amino]-4-oxobutanoyl]amino]-4-methylpentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylbutanoyl]amino]-4-methylsulfanylbutanoic acid |
| SMILES (Canonical) | CC(C)CC(C(=O)NC(CCCN=C(N)N)C(=O)NC(CCCN=C(N)N)C(=O)NC(CC(=O)N)C(=O)NC(CC(=O)N)C(=O)NC(CC(C)C)C(=O)NC(CC1=CC=C(C=C1)O)C(=O)NC(C(C)C)C(=O)NC(CCSC)C(=O)O)N |
| SMILES (Isomeric) | CC(C)CC(C(=O)NC(CCCN=C(N)N)C(=O)NC(CCCN=C(N)N)C(=O)NC(CC(=O)N)C(=O)NC(CC(=O)N)C(=O)NC(CC(C)C)C(=O)NC(CC1=CC=C(C=C1)O)C(=O)NC(C(C)C)C(=O)NC(CCSC)C(=O)O)N |
| InChI | InChI=1S/C51H87N17O13S/c1-25(2)20-30(52)41(72)61-31(10-8-17-59-50(55)56)42(73)62-32(11-9-18-60-51(57)58)43(74)66-36(23-38(53)70)46(77)67-37(24-39(54)71)45(76)64-34(21-26(3)4)44(75)65-35(22-28-12-14-29(69)15-13-28)47(78)68-40(27(5)6)48(79)63-33(49(80)81)16-19-82-7/h12-15,25-27,30-37,40,69H,8-11,16-24,52H2,1-7H3,(H2,53,70)(H2,54,71)(H,61,72)(H,62,73)(H,63,79)(H,64,76)(H,65,75)(H,66,74)(H,67,77)(H,68,78)(H,80,81)(H4,55,56,59)(H4,57,58,60) |
| InChI Key | UGNKGBSJHBNKEX-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C51H87N17O13S |
| Molecular Weight | 1178.40 g/mol |
| Exact Mass | 1177.63899707 g/mol |
| Topological Polar Surface Area (TPSA) | 557.00 Ų |
| XlogP | -5.00 |
| 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% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 98.95% | 93.56% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 98.41% | 83.82% |
| CHEMBL236 | P41143 | Delta opioid receptor | 97.70% | 99.35% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 97.58% | 93.10% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.27% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 97.17% | 99.17% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 97.12% | 100.00% |
| CHEMBL4777 | P25929 | Neuropeptide Y receptor type 1 | 96.64% | 96.67% |
| CHEMBL2095164 | P49354 | Geranylgeranyl transferase type I | 96.53% | 92.80% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 96.45% | 90.20% |
| CHEMBL4072 | P07858 | Cathepsin B | 96.34% | 93.67% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 96.09% | 100.00% |
| CHEMBL1907594 | P30926 | Neuronal acetylcholine receptor; alpha3/beta4 | 95.90% | 97.23% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.16% | 94.45% |
| CHEMBL3286 | P00749 | Urokinase-type plasminogen activator | 94.79% | 97.88% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.48% | 91.11% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 93.20% | 90.71% |
| CHEMBL3976 | Q9UHL4 | Dipeptidyl peptidase II | 93.10% | 92.29% |
| CHEMBL4018 | P49146 | Neuropeptide Y receptor type 2 | 92.81% | 98.94% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 92.15% | 90.17% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 91.82% | 93.00% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 91.50% | 95.38% |
| CHEMBL3837 | P07711 | Cathepsin L | 91.31% | 96.61% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 89.28% | 98.33% |
| CHEMBL5852 | Q96P65 | Pyroglutamylated RFamide peptide receptor | 89.24% | 85.00% |
| CHEMBL3891 | P07384 | Calpain 1 | 87.88% | 93.04% |
| CHEMBL2535 | P11166 | Glucose transporter | 87.69% | 98.75% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 87.59% | 96.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.33% | 95.56% |
| CHEMBL2163183 | Q9NXA8 | NAD-dependent protein deacylase sirtuin-5, mitochondrial | 86.80% | 96.53% |
| CHEMBL2094135 | Q96BI3 | Gamma-secretase | 86.31% | 98.05% |
| CHEMBL4123 | P30989 | Neurotensin receptor 1 | 86.24% | 96.67% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 85.86% | 95.89% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 84.82% | 100.00% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 84.64% | 97.21% |
| CHEMBL4444 | P04070 | Vitamin K-dependent protein C | 82.98% | 93.89% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 82.35% | 99.15% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 82.23% | 95.50% |
| CHEMBL249 | P25103 | Neurokinin 1 receptor | 81.94% | 99.17% |
| CHEMBL5939 | Q9NZ08 | Endoplasmic reticulum aminopeptidase 1 | 81.89% | 100.00% |
| CHEMBL2179 | P04062 | Beta-glucocerebrosidase | 81.59% | 85.31% |
| CHEMBL242 | Q92731 | Estrogen receptor beta | 80.77% | 98.35% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 80.58% | 95.17% |
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 | 163087838 |
| LOTUS | LTS0253017 |
| wikiData | Q105272457 |