cyclo[Gly-Ile-Pro-Ile-D-Trp-Pro]
| Internal ID | c444b360-85e5-4c9f-a3d2-aa0ca427b037 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Peptides > Oligopeptides |
| IUPAC Name | (3R,6S,9S,15S,21S)-6,15-bis[(2S)-butan-2-yl]-3-(1H-indol-3-ylmethyl)-1,4,7,13,16,19-hexazatricyclo[19.3.0.09,13]tetracosane-2,5,8,14,17,20-hexone |
| SMILES (Canonical) | CCC(C)C1C(=O)NC(C(=O)N2CCCC2C(=O)NCC(=O)NC(C(=O)N3CCCC3C(=O)N1)C(C)CC)CC4=CNC5=CC=CC=C54 |
| SMILES (Isomeric) | CC[C@H](C)[C@H]1C(=O)N[C@@H](C(=O)N2CCC[C@H]2C(=O)NCC(=O)N[C@H](C(=O)N3CCC[C@H]3C(=O)N1)[C@@H](C)CC)CC4=CNC5=CC=CC=C54 |
| InChI | InChI=1S/C35H49N7O6/c1-5-20(3)29-33(46)38-25(17-22-18-36-24-12-8-7-11-23(22)24)34(47)41-15-9-13-26(41)31(44)37-19-28(43)39-30(21(4)6-2)35(48)42-16-10-14-27(42)32(45)40-29/h7-8,11-12,18,20-21,25-27,29-30,36H,5-6,9-10,13-17,19H2,1-4H3,(H,37,44)(H,38,46)(H,39,43)(H,40,45)/t20-,21-,25+,26-,27-,29-,30-/m0/s1 |
| InChI Key | ATTPAVZICRNMOF-LSEKIACKSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C35H49N7O6 |
| Molecular Weight | 663.80 g/mol |
| Exact Mass | 663.37443231 g/mol |
| Topological Polar Surface Area (TPSA) | 173.00 Ų |
| XlogP | 3.00 |
| There are no found synonyms. |
![2D Structure of cyclo[Gly-Ile-Pro-Ile-D-Trp-Pro]](https://plantaedb.com/storage/docs/compounds/2023/11/cyclogly-ile-pro-ile-d-trp-pro.jpg "2D Structure of cyclo[Gly-Ile-Pro-Ile-D-Trp-Pro]")
| 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 | 99.41% | 98.95% |
| CHEMBL333 | P08253 | Matrix metalloproteinase-2 | 99.27% | 96.31% |
| CHEMBL3524 | P56524 | Histone deacetylase 4 | 98.39% | 92.97% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.22% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.71% | 96.09% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 97.16% | 90.08% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 96.64% | 88.56% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 94.92% | 97.64% |
| CHEMBL3155 | P34969 | Serotonin 7 (5-HT7) receptor | 94.29% | 90.71% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.20% | 95.56% |
| CHEMBL321 | P14780 | Matrix metalloproteinase 9 | 93.52% | 92.12% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 91.83% | 98.59% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 91.80% | 93.99% |
| CHEMBL2095226 | P05556 | Integrin alpha-5/beta-1 | 91.78% | 96.39% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 91.70% | 94.75% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 91.16% | 99.18% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 91.14% | 95.89% |
| CHEMBL2443 | P49862 | Kallikrein 7 | 91.13% | 94.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.90% | 97.09% |
| CHEMBL240 | Q12809 | HERG | 89.95% | 89.76% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 89.44% | 97.25% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.96% | 89.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 88.89% | 85.14% |
| CHEMBL2095172 | P14867 | GABA-A receptor; alpha-1/beta-2/gamma-2 | 88.19% | 92.67% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.83% | 94.45% |
| CHEMBL4588 | P22894 | Matrix metalloproteinase 8 | 87.81% | 94.66% |
| CHEMBL2189110 | Q15910 | Histone-lysine N-methyltransferase EZH2 | 87.57% | 97.50% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 87.45% | 97.05% |
| CHEMBL3830 | Q2M2I8 | Adaptor-associated kinase | 87.33% | 83.10% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 87.32% | 82.38% |
| CHEMBL1978 | P11511 | Cytochrome P450 19A1 | 86.78% | 91.76% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 86.75% | 92.62% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 86.54% | 93.03% |
| CHEMBL6175 | Q9H3R0 | Lysine-specific demethylase 4C | 85.92% | 96.69% |
| CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 85.16% | 95.83% |
| CHEMBL264 | Q9Y5N1 | Histamine H3 receptor | 84.19% | 91.43% |
| CHEMBL228 | P31645 | Serotonin transporter | 83.61% | 95.51% |
| CHEMBL5896 | O75164 | Lysine-specific demethylase 4A | 82.56% | 99.09% |
| CHEMBL213 | P08588 | Beta-1 adrenergic receptor | 82.52% | 95.56% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 82.42% | 99.23% |
| CHEMBL4071 | P08311 | Cathepsin G | 82.27% | 94.64% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 82.14% | 89.62% |
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.
| Gypsophila arabica |
| PubChem | 163103414 |
| LOTUS | LTS0109771 |
| wikiData | Q104918680 |