2-[[1-[6-(diaminomethylideneamino)-2-(3-methylbutanoylamino)hexanoyl]-4-ethylidene-3-methylpyrrolidine-2-carbonyl]amino]-3-(1H-indol-3-yl)propanoic acid
| Internal ID | 0683d946-0c95-4f92-bb3f-d27d179580e4 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Peptides |
| IUPAC Name | 2-[[1-[6-(diaminomethylideneamino)-2-(3-methylbutanoylamino)hexanoyl]-4-ethylidene-3-methylpyrrolidine-2-carbonyl]amino]-3-(1H-indol-3-yl)propanoic acid |
| SMILES (Canonical) | CC=C1CN(C(C1C)C(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)O)C(=O)C(CCCCN=C(N)N)NC(=O)CC(C)C |
| SMILES (Isomeric) | CC=C1CN(C(C1C)C(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)O)C(=O)C(CCCCN=C(N)N)NC(=O)CC(C)C |
| InChI | InChI=1S/C31H45N7O5/c1-5-20-17-38(29(41)24(36-26(39)14-18(2)3)12-8-9-13-34-31(32)33)27(19(20)4)28(40)37-25(30(42)43)15-21-16-35-23-11-7-6-10-22(21)23/h5-7,10-11,16,18-19,24-25,27,35H,8-9,12-15,17H2,1-4H3,(H,36,39)(H,37,40)(H,42,43)(H4,32,33,34) |
| InChI Key | FVSHJVLTICYBGI-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C31H45N7O5 |
| Molecular Weight | 595.70 g/mol |
| Exact Mass | 595.34821756 g/mol |
| Topological Polar Surface Area (TPSA) | 196.00 Ų |
| XlogP | 1.80 |
| There are no found synonyms. |
![2D Structure of 2-[[1-[6-(diaminomethylideneamino)-2-(3-methylbutanoylamino)hexanoyl]-4-ethylidene-3-methylpyrrolidine-2-carbonyl]amino]-3-(1H-indol-3-yl)propanoic acid](https://plantaedb.com/storage/docs/compounds/2023/11/c5e1a5b0-85d6-11ee-9777-61a98ff71ad7.jpg "2D Structure of 2-[[1-[6-(diaminomethylideneamino)-2-(3-methylbutanoylamino)hexanoyl]-4-ethylidene-3-methylpyrrolidine-2-carbonyl]amino]-3-(1H-indol-3-yl)propanoic 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.30% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 99.28% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.36% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 96.84% | 95.56% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 96.42% | 90.20% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 96.00% | 82.69% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.91% | 94.45% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 94.72% | 89.62% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 93.45% | 98.33% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 92.62% | 99.17% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 92.39% | 96.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 91.00% | 98.75% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 90.32% | 96.47% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.94% | 97.09% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 89.91% | 97.21% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.51% | 89.00% |
| CHEMBL3837 | P07711 | Cathepsin L | 88.47% | 96.61% |
| CHEMBL5028 | O14672 | ADAM10 | 87.78% | 97.50% |
| CHEMBL4644 | P41968 | Melanocortin receptor 3 | 87.31% | 99.52% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 86.72% | 93.99% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 86.66% | 88.56% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 86.52% | 91.81% |
| CHEMBL5939 | Q9NZ08 | Endoplasmic reticulum aminopeptidase 1 | 85.73% | 100.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 84.96% | 90.71% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 83.99% | 93.56% |
| CHEMBL1907594 | P30926 | Neuronal acetylcholine receptor; alpha3/beta4 | 83.68% | 97.23% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 83.50% | 100.00% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 83.42% | 97.64% |
| CHEMBL3830 | Q2M2I8 | Adaptor-associated kinase | 82.92% | 83.10% |
| CHEMBL261 | P00915 | Carbonic anhydrase I | 82.33% | 96.76% |
| CHEMBL2431 | P31751 | Serine/threonine-protein kinase AKT2 | 81.98% | 98.33% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 81.56% | 100.00% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 80.93% | 91.19% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 80.76% | 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 | 74070907 |
| LOTUS | LTS0221466 |
| wikiData | Q104166823 |