H-DL-Tyr-DL-Ala(imidazol-2-yl)-DL-xiIle-DL-Phe-DL-Asn-DL-Asp-DL-xiIle-DL-Lys-OH
| Internal ID | 5368d25b-1e1f-4fdf-a5c7-8700c0c1145b |
| Taxonomy | Organic acids and derivatives > Peptidomimetics > Hybrid peptides |
| IUPAC Name | 6-amino-2-[[2-[[2-[[4-amino-2-[[2-[[2-[[2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-(1H-imidazol-2-yl)propanoyl]amino]-3-methylpentanoyl]amino]-3-phenylpropanoyl]amino]-4-oxobutanoyl]amino]-3-carboxypropanoyl]amino]-3-methylpentanoyl]amino]hexanoic acid |
| SMILES (Canonical) | CCC(C)C(C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CC(=O)N)C(=O)NC(CC(=O)O)C(=O)NC(C(C)CC)C(=O)NC(CCCCN)C(=O)O)NC(=O)C(CC2=NC=CN2)NC(=O)C(CC3=CC=C(C=C3)O)N |
| SMILES (Isomeric) | CCC(C)C(C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CC(=O)N)C(=O)NC(CC(=O)O)C(=O)NC(C(C)CC)C(=O)NC(CCCCN)C(=O)O)NC(=O)C(CC2=NC=CN2)NC(=O)C(CC3=CC=C(C=C3)O)N |
| InChI | InChI=1S/C50H72N12O13/c1-5-27(3)41(48(72)56-33(50(74)75)14-10-11-19-51)62-47(71)37(26-40(65)66)59-45(69)35(24-38(53)64)58-44(68)34(23-29-12-8-7-9-13-29)60-49(73)42(28(4)6-2)61-46(70)36(25-39-54-20-21-55-39)57-43(67)32(52)22-30-15-17-31(63)18-16-30/h7-9,12-13,15-18,20-21,27-28,32-37,41-42,63H,5-6,10-11,14,19,22-26,51-52H2,1-4H3,(H2,53,64)(H,54,55)(H,56,72)(H,57,67)(H,58,68)(H,59,69)(H,60,73)(H,61,70)(H,62,71)(H,65,66)(H,74,75) |
| InChI Key | FCZMCLDNOIUFGZ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C50H72N12O13 |
| Molecular Weight | 1049.20 g/mol |
| Exact Mass | 1048.53418040 g/mol |
| Topological Polar Surface Area (TPSA) | 422.00 Ų |
| XlogP | -4.40 |
| 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 | 99.88% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.90% | 96.09% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 98.43% | 90.20% |
| CHEMBL1907594 | P30926 | Neuronal acetylcholine receptor; alpha3/beta4 | 98.33% | 97.23% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 96.87% | 100.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 96.85% | 99.17% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 96.61% | 93.10% |
| CHEMBL3837 | P07711 | Cathepsin L | 95.22% | 96.61% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 95.02% | 97.21% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 94.61% | 95.50% |
| CHEMBL236 | P41143 | Delta opioid receptor | 94.07% | 99.35% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.99% | 91.11% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 93.71% | 93.56% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 92.09% | 100.00% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 91.40% | 98.33% |
| CHEMBL3776 | Q14790 | Caspase-8 | 91.36% | 97.06% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 91.33% | 94.62% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 90.61% | 83.82% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 90.16% | 90.17% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.97% | 95.56% |
| CHEMBL2535 | P11166 | Glucose transporter | 89.14% | 98.75% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 89.14% | 93.00% |
| CHEMBL1293287 | P14735 | Insulin-degrading enzyme | 89.08% | 88.10% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 87.52% | 91.71% |
| CHEMBL3976 | Q9UHL4 | Dipeptidyl peptidase II | 87.37% | 92.29% |
| CHEMBL4801 | P29466 | Caspase-1 | 86.42% | 96.85% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 85.86% | 99.15% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 85.69% | 95.89% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 85.63% | 94.73% |
| CHEMBL1808 | P12821 | Angiotensin-converting enzyme | 84.91% | 93.39% |
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 84.40% | 94.08% |
| CHEMBL4101 | P17612 | cAMP-dependent protein kinase alpha-catalytic subunit | 83.86% | 82.86% |
| CHEMBL3038469 | P24941 | CDK2/Cyclin A | 82.87% | 91.38% |
| CHEMBL5939 | Q9NZ08 | Endoplasmic reticulum aminopeptidase 1 | 82.55% | 100.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 82.20% | 94.45% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 81.16% | 100.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 81.11% | 86.33% |
| CHEMBL1287628 | Q9Y5S8 | NADPH oxidase 1 | 80.53% | 95.48% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 80.39% | 97.64% |
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 | 163038240 |
| LOTUS | LTS0090098 |
| wikiData | Q104993460 |