H-DL-Lys-DL-Asn-DL-Tyr-Gly-DL-Asn-Gly-DL-Val-DL-His-DL-Cys-DL-xiThr-NH2
| Internal ID | 826bc61f-17b9-485c-a59e-697c0cd78b18 |
| Taxonomy | Organic Polymers > Polypeptides |
| IUPAC Name | 2-[[2-[[2-[[4-amino-2-(2,6-diaminohexanoylamino)-4-oxobutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]-N-[2-[[1-[[1-[[1-[(1-amino-3-hydroxy-1-oxobutan-2-yl)amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-2-oxoethyl]butanediamide |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C45H70N16O14S/c1-21(2)36(45(75)58-28(13-24-16-51-20-54-24)42(72)59-31(19-76)44(74)61-37(22(3)62)38(50)68)60-35(67)18-53-41(71)29(14-32(48)64)55-34(66)17-52-40(70)27(12-23-7-9-25(63)10-8-23)57-43(73)30(15-33(49)65)56-39(69)26(47)6-4-5-11-46/h7-10,16,20-22,26-31,36-37,62-63,76H,4-6,11-15,17-19,46-47H2,1-3H3,(H2,48,64)(H2,49,65)(H2,50,68)(H,51,54)(H,52,70)(H,53,71)(H,55,66)(H,56,69)(H,57,73)(H,58,75)(H,59,72)(H,60,67)(H,61,74) |
| InChI Key | XNHDORMSXNDQMQ-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C45H70N16O14S |
| Molecular Weight | 1091.20 g/mol |
| Exact Mass | 1090.49781214 g/mol |
| Topological Polar Surface Area (TPSA) | 513.00 Ų |
| XlogP | -6.50 |
| 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 | 99.85% | 98.95% |
| CHEMBL1907594 | P30926 | Neuronal acetylcholine receptor; alpha3/beta4 | 99.80% | 97.23% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 99.33% | 90.20% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 99.20% | 94.45% |
| CHEMBL3038469 | P24941 | CDK2/Cyclin A | 98.44% | 91.38% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.39% | 96.09% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 98.19% | 97.21% |
| CHEMBL4296013 | Q5VWK5 | Interleukin-23 receptor | 97.42% | 88.00% |
| CHEMBL3976 | Q9UHL4 | Dipeptidyl peptidase II | 97.39% | 92.29% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 96.59% | 100.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.03% | 91.11% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 95.67% | 99.17% |
| CHEMBL236 | P41143 | Delta opioid receptor | 95.10% | 99.35% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 95.06% | 100.00% |
| CHEMBL4018 | P49146 | Neuropeptide Y receptor type 2 | 95.05% | 98.94% |
| CHEMBL2535 | P11166 | Glucose transporter | 94.85% | 98.75% |
| CHEMBL4101 | P17612 | cAMP-dependent protein kinase alpha-catalytic subunit | 92.96% | 82.86% |
| CHEMBL2094135 | Q96BI3 | Gamma-secretase | 92.47% | 98.05% |
| CHEMBL1907589 | P17787 | Neuronal acetylcholine receptor; alpha4/beta2 | 92.36% | 94.55% |
| CHEMBL3437 | Q16853 | Amine oxidase, copper containing | 92.35% | 94.00% |
| CHEMBL2492 | P36544 | Neuronal acetylcholine receptor protein alpha-7 subunit | 92.10% | 88.42% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 91.24% | 93.10% |
| CHEMBL4816 | Q9Y243 | Serine/threonine-protein kinase AKT3 | 90.58% | 96.28% |
| CHEMBL5852 | Q96P65 | Pyroglutamylated RFamide peptide receptor | 89.21% | 85.00% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 89.11% | 95.50% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 88.78% | 96.90% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 88.77% | 96.95% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 88.36% | 90.71% |
| CHEMBL4361 | Q07820 | Induced myeloid leukemia cell differentiation protein Mcl-1 | 87.96% | 95.52% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 87.89% | 98.33% |
| CHEMBL5939 | Q9NZ08 | Endoplasmic reticulum aminopeptidase 1 | 86.45% | 100.00% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 86.40% | 95.89% |
| CHEMBL4581 | P52732 | Kinesin-like protein 1 | 86.14% | 93.18% |
| CHEMBL5261 | Q7L7X3 | Serine/threonine-protein kinase TAO1 | 86.08% | 89.33% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 85.80% | 90.08% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 85.29% | 99.15% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 84.71% | 93.00% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 84.70% | 89.50% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 84.67% | 93.56% |
| CHEMBL249 | P25103 | Neurokinin 1 receptor | 84.56% | 99.17% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 84.54% | 96.00% |
| CHEMBL4777 | P25929 | Neuropeptide Y receptor type 1 | 83.85% | 96.67% |
| CHEMBL227 | P30556 | Type-1 angiotensin II receptor | 83.07% | 99.53% |
| CHEMBL301 | P24941 | Cyclin-dependent kinase 2 | 82.67% | 91.23% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 81.68% | 97.64% |
| CHEMBL3176 | O43603 | Galanin receptor 2 | 81.20% | 98.89% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 80.97% | 90.17% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 80.97% | 91.71% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 80.76% | 90.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 80.52% | 95.56% |
| CHEMBL3392948 | Q9NP59 | Solute carrier family 40 member 1 | 80.43% | 95.00% |
| CHEMBL3984 | Q99640 | Tyrosine- and threonine-specific cdc2-inhibitory kinase | 80.13% | 85.00% |
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.
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| There are no matching plants. |
| PubChem | 163003021 |
| LOTUS | LTS0089822 |
| wikiData | Q104201162 |