5-(diaminomethylideneamino)-2-[[1-[2-[(3-hydroxy-7-methyloctanoyl)amino]-3-(1H-indol-3-yl)propanoyl]pyrrolidine-2-carbonyl]amino]pentanoic acid
| Internal ID | 95d1bd92-7581-4f57-ad38-4aebc693c2c0 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Peptides > Oligopeptides |
| IUPAC Name | 5-(diaminomethylideneamino)-2-[[1-[2-[(3-hydroxy-7-methyloctanoyl)amino]-3-(1H-indol-3-yl)propanoyl]pyrrolidine-2-carbonyl]amino]pentanoic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C31H47N7O6/c1-19(2)8-5-9-21(39)17-27(40)36-25(16-20-18-35-23-11-4-3-10-22(20)23)29(42)38-15-7-13-26(38)28(41)37-24(30(43)44)12-6-14-34-31(32)33/h3-4,10-11,18-19,21,24-26,35,39H,5-9,12-17H2,1-2H3,(H,36,40)(H,37,41)(H,43,44)(H4,32,33,34) |
| InChI Key | HYYCBNZMVDXFIO-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C31H47N7O6 |
| Molecular Weight | 613.70 g/mol |
| Exact Mass | 613.35878224 g/mol |
| Topological Polar Surface Area (TPSA) | 216.00 Ų |
| XlogP | 1.40 |
| There are no found synonyms. |
![2D Structure of 5-(diaminomethylideneamino)-2-[[1-[2-[(3-hydroxy-7-methyloctanoyl)amino]-3-(1H-indol-3-yl)propanoyl]pyrrolidine-2-carbonyl]amino]pentanoic acid](https://plantaedb.com/storage/docs/compounds/2023/11/unk-dl-trp-dl-pro-dl-arg-oh.jpg "2D Structure of 5-(diaminomethylideneamino)-2-[[1-[2-[(3-hydroxy-7-methyloctanoyl)amino]-3-(1H-indol-3-yl)propanoyl]pyrrolidine-2-carbonyl]amino]pentanoic acid")
| 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 | 99.64% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.51% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.98% | 96.09% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 97.91% | 98.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.87% | 95.56% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 95.46% | 90.20% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 94.47% | 97.64% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 94.30% | 91.81% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 93.63% | 82.69% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.10% | 94.45% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.48% | 97.09% |
| CHEMBL3837 | P07711 | Cathepsin L | 92.01% | 96.61% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 91.77% | 96.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 91.40% | 98.75% |
| CHEMBL333 | P08253 | Matrix metalloproteinase-2 | 91.09% | 96.31% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 90.70% | 89.63% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 90.62% | 100.00% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 90.26% | 96.47% |
| CHEMBL4979 | P13866 | Sodium/glucose cotransporter 1 | 90.19% | 98.24% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 89.94% | 88.56% |
| CHEMBL1944495 | P28065 | Proteasome subunit beta type-9 | 89.86% | 97.50% |
| CHEMBL4644 | P41968 | Melanocortin receptor 3 | 89.62% | 99.52% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.31% | 95.89% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 88.19% | 99.17% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 87.41% | 100.00% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 87.08% | 89.62% |
| CHEMBL3155 | P34969 | Serotonin 7 (5-HT7) receptor | 86.67% | 90.71% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 86.57% | 100.00% |
| CHEMBL5939 | Q9NZ08 | Endoplasmic reticulum aminopeptidase 1 | 86.50% | 100.00% |
| CHEMBL213 | P08588 | Beta-1 adrenergic receptor | 86.43% | 95.56% |
| CHEMBL5028 | O14672 | ADAM10 | 85.94% | 97.50% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 85.87% | 93.10% |
| CHEMBL204 | P00734 | Thrombin | 85.74% | 96.01% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 85.09% | 90.71% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 84.77% | 93.99% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 82.84% | 91.19% |
| CHEMBL3830 | Q2M2I8 | Adaptor-associated kinase | 81.76% | 83.10% |
| CHEMBL4588 | P22894 | Matrix metalloproteinase 8 | 81.27% | 94.66% |
| CHEMBL4073 | P09237 | Matrix metalloproteinase 7 | 80.82% | 97.56% |
| CHEMBL2492 | P36544 | Neuronal acetylcholine receptor protein alpha-7 subunit | 80.20% | 88.42% |
| CHEMBL4394 | Q9NYA1 | Sphingosine kinase 1 | 80.20% | 96.03% |
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 | 163031053 |
| LOTUS | LTS0223700 |
| wikiData | Q105035535 |