Adda-D-Glu(gamma)-Mdhb-D-MeAsp(beta)-L-Arg-OH
| Internal ID | cd070510-71b7-426a-af5f-419d90f75dab |
| Taxonomy | Organic acids and derivatives > Peptidomimetics > Hybrid peptides |
| IUPAC Name | (2R,3S)-2-[2-[[(2R)-2-[[(2S,3S,4E,6E,8S,9S)-3-amino-9-methoxy-2,6,8-trimethyl-10-phenyldeca-4,6-dienoyl]amino]-4-carboxybutanoyl]-methylamino]but-3-enoylamino]-4-[[(1S)-1-carboxy-4-(diaminomethylideneamino)butyl]amino]-3-methyl-4-oxobutanoic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C41H62N8O11/c1-8-31(37(54)48-34(40(58)59)26(5)36(53)47-30(39(56)57)15-12-20-45-41(43)44)49(6)38(55)29(18-19-33(50)51)46-35(52)25(4)28(42)17-16-23(2)21-24(3)32(60-7)22-27-13-10-9-11-14-27/h8-11,13-14,16-17,21,24-26,28-32,34H,1,12,15,18-20,22,42H2,2-7H3,(H,46,52)(H,47,53)(H,48,54)(H,50,51)(H,56,57)(H,58,59)(H4,43,44,45)/b17-16+,23-21+/t24-,25-,26-,28-,29+,30-,31?,32-,34+/m0/s1 |
| InChI Key | BPYZNWNSSMCXAU-JDTMAKLZSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C41H62N8O11 |
| Molecular Weight | 843.00 g/mol |
| Exact Mass | 842.45380482 g/mol |
| Topological Polar Surface Area (TPSA) | 319.00 Ų |
| XlogP | -1.00 |
| 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 | 99.84% | 98.95% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 99.73% | 83.82% |
| CHEMBL3837 | P07711 | Cathepsin L | 99.09% | 96.61% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 99.04% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 98.83% | 99.17% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 98.39% | 90.20% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 96.67% | 90.17% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.84% | 91.11% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 93.53% | 95.50% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.21% | 95.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.51% | 94.45% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 91.05% | 96.00% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 90.75% | 95.89% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 90.52% | 100.00% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 90.41% | 91.19% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 90.24% | 93.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.93% | 86.33% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 88.84% | 100.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.51% | 95.89% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 86.42% | 98.33% |
| CHEMBL4072 | P07858 | Cathepsin B | 85.83% | 93.67% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 84.78% | 93.00% |
| CHEMBL5678 | P34947 | G protein-coupled receptor kinase 5 | 84.71% | 88.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 84.23% | 90.71% |
| CHEMBL236 | P41143 | Delta opioid receptor | 83.16% | 99.35% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 82.93% | 100.00% |
| CHEMBL5939 | Q9NZ08 | Endoplasmic reticulum aminopeptidase 1 | 82.33% | 100.00% |
| CHEMBL5028 | O14672 | ADAM10 | 82.18% | 97.50% |
| CHEMBL2327 | P21452 | Neurokinin 2 receptor | 80.29% | 98.89% |
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 | 139584373 |
| LOTUS | LTS0234950 |
| wikiData | Q77310940 |