H-DL-xiThr-DL-Lys-DL-Tyr-DL-Tyr-Gly-DL-Asn-Gly-DL-Val-DL-Tyr-DL-Cys(SMe)-NHMe
| Internal ID | 63d54e28-8d5e-4484-af28-5cec8f412e7d |
| Taxonomy | Organic Polymers > Polypeptides |
| IUPAC Name | 2-[[2-[[2-[[2-[[6-amino-2-[(2-amino-3-hydroxybutanoyl)amino]hexanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]-N-[2-[[1-[[3-(4-hydroxyphenyl)-1-[[1-(methylamino)-3-(methyldisulfanyl)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-2-oxoethyl]butanediamide |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C55H79N13O15S2/c1-29(2)47(55(83)66-40(24-33-13-19-36(72)20-14-33)53(81)67-42(28-85-84-5)48(76)59-4)68-45(75)27-61-50(78)41(25-43(57)73)62-44(74)26-60-49(77)38(22-31-9-15-34(70)16-10-31)64-52(80)39(23-32-11-17-35(71)18-12-32)65-51(79)37(8-6-7-21-56)63-54(82)46(58)30(3)69/h9-20,29-30,37-42,46-47,69-72H,6-8,21-28,56,58H2,1-5H3,(H2,57,73)(H,59,76)(H,60,77)(H,61,78)(H,62,74)(H,63,82)(H,64,80)(H,65,79)(H,66,83)(H,67,81)(H,68,75) |
| InChI Key | UGRHRSSMRJQGMG-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C55H79N13O15S2 |
| Molecular Weight | 1226.40 g/mol |
| Exact Mass | 1225.52600121 g/mol |
| Topological Polar Surface Area (TPSA) | 518.00 Ų |
| XlogP | -1.40 |
| 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 | 99.52% | 98.95% |
| CHEMBL1907594 | P30926 | Neuronal acetylcholine receptor; alpha3/beta4 | 98.86% | 97.23% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 98.22% | 94.45% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 97.75% | 90.20% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 97.30% | 83.82% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 96.78% | 97.21% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 96.64% | 99.17% |
| CHEMBL5852 | Q96P65 | Pyroglutamylated RFamide peptide receptor | 95.78% | 85.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.18% | 91.11% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 95.18% | 100.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.16% | 96.09% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 95.02% | 100.00% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 94.51% | 95.50% |
| CHEMBL2094135 | Q96BI3 | Gamma-secretase | 93.91% | 98.05% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 93.75% | 93.10% |
| CHEMBL3038469 | P24941 | CDK2/Cyclin A | 93.63% | 91.38% |
| CHEMBL236 | P41143 | Delta opioid receptor | 90.52% | 99.35% |
| CHEMBL4777 | P25929 | Neuropeptide Y receptor type 1 | 89.71% | 96.67% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 89.28% | 90.17% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 88.82% | 96.90% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 88.77% | 90.71% |
| CHEMBL2535 | P11166 | Glucose transporter | 88.68% | 98.75% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 87.93% | 99.15% |
| CHEMBL4101 | P17612 | cAMP-dependent protein kinase alpha-catalytic subunit | 87.82% | 82.86% |
| CHEMBL4581 | P52732 | Kinesin-like protein 1 | 87.77% | 93.18% |
| CHEMBL3018 | Q9Y5Y6 | Matriptase | 87.77% | 98.33% |
| CHEMBL5261 | Q7L7X3 | Serine/threonine-protein kinase TAO1 | 87.52% | 89.33% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 87.13% | 98.33% |
| CHEMBL4018 | P49146 | Neuropeptide Y receptor type 2 | 86.73% | 98.94% |
| CHEMBL4296013 | Q5VWK5 | Interleukin-23 receptor | 86.72% | 88.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 85.70% | 94.73% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 85.57% | 95.89% |
| CHEMBL4816 | Q9Y243 | Serine/threonine-protein kinase AKT3 | 84.58% | 96.28% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 84.27% | 96.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 83.69% | 95.56% |
| CHEMBL3891 | P07384 | Calpain 1 | 82.26% | 93.04% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 82.20% | 93.56% |
| CHEMBL3976 | Q9UHL4 | Dipeptidyl peptidase II | 82.19% | 92.29% |
| CHEMBL249 | P25103 | Neurokinin 1 receptor | 81.63% | 99.17% |
| CHEMBL4393 | P39900 | Matrix metalloproteinase 12 | 81.27% | 92.22% |
| CHEMBL4973 | P43004 | Excitatory amino acid transporter 2 | 80.45% | 98.75% |
| CHEMBL5939 | Q9NZ08 | Endoplasmic reticulum aminopeptidase 1 | 80.04% | 100.00% |
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.
| There are no matching plants. |
| PubChem | 163045873 |
| LOTUS | LTS0236618 |
| wikiData | Q104198194 |