5-(diaminomethylideneamino)-2-[[3-(1H-indol-3-ylmethyl)-12-methyl-6,9-bis(2-methylpropyl)-2,5,8,11,14-pentaoxo-1,4,7,10,13-pentazacyclononadec-15-yl]carbamoylamino]pentanoic acid
| Internal ID | 4095f2d4-449e-4383-a263-cc20c4b0d68b |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Peptides > Cyclic peptides |
| IUPAC Name | 5-(diaminomethylideneamino)-2-[[3-(1H-indol-3-ylmethyl)-12-methyl-6,9-bis(2-methylpropyl)-2,5,8,11,14-pentaoxo-1,4,7,10,13-pentazacyclononadec-15-yl]carbamoylamino]pentanoic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C39H61N11O8/c1-21(2)17-29-35(54)47-30(18-22(3)4)36(55)48-31(19-24-20-44-26-12-7-6-11-25(24)26)33(52)42-15-9-8-13-27(34(53)45-23(5)32(51)46-29)49-39(58)50-28(37(56)57)14-10-16-43-38(40)41/h6-7,11-12,20-23,27-31,44H,8-10,13-19H2,1-5H3,(H,42,52)(H,45,53)(H,46,51)(H,47,54)(H,48,55)(H,56,57)(H4,40,41,43)(H2,49,50,58) |
| InChI Key | XOVLFOXGZHDKTM-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C39H61N11O8 |
| Molecular Weight | 812.00 g/mol |
| Exact Mass | 811.47045795 g/mol |
| Topological Polar Surface Area (TPSA) | 304.00 Ų |
| XlogP | 1.70 |
| There are no found synonyms. |
![2D Structure of 5-(diaminomethylideneamino)-2-[[3-(1H-indol-3-ylmethyl)-12-methyl-6,9-bis(2-methylpropyl)-2,5,8,11,14-pentaoxo-1,4,7,10,13-pentazacyclononadec-15-yl]carbamoylamino]pentanoic acid](https://plantaedb.com/storage/docs/compounds/2023/11/49a41ad0-85c4-11ee-83d1-e34c9436e60f.jpg "2D Structure of 5-(diaminomethylideneamino)-2-[[3-(1H-indol-3-ylmethyl)-12-methyl-6,9-bis(2-methylpropyl)-2,5,8,11,14-pentaoxo-1,4,7,10,13-pentazacyclononadec-15-yl]carbamoylamino]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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.76% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 99.49% | 98.95% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 98.07% | 83.82% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.98% | 96.09% |
| CHEMBL2492 | P36544 | Neuronal acetylcholine receptor protein alpha-7 subunit | 97.72% | 88.42% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 95.82% | 97.09% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 92.64% | 93.56% |
| CHEMBL4644 | P41968 | Melanocortin receptor 3 | 92.44% | 99.52% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 92.32% | 96.47% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 91.86% | 97.64% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.63% | 94.45% |
| CHEMBL3155 | P34969 | Serotonin 7 (5-HT7) receptor | 91.58% | 90.71% |
| CHEMBL4608 | P33032 | Melanocortin receptor 5 | 91.44% | 97.00% |
| CHEMBL3830 | Q2M2I8 | Adaptor-associated kinase | 91.33% | 83.10% |
| CHEMBL4979 | P13866 | Sodium/glucose cotransporter 1 | 91.08% | 98.24% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 90.69% | 92.88% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.62% | 95.56% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 90.18% | 90.08% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 89.70% | 100.00% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 88.24% | 98.33% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 88.03% | 90.20% |
| CHEMBL2535 | P11166 | Glucose transporter | 87.70% | 98.75% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 87.63% | 88.56% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 87.41% | 96.00% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 87.01% | 95.38% |
| CHEMBL213 | P08588 | Beta-1 adrenergic receptor | 86.18% | 95.56% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 85.21% | 94.75% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 84.96% | 93.10% |
| CHEMBL1907594 | P30926 | Neuronal acetylcholine receptor; alpha3/beta4 | 84.66% | 97.23% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 83.66% | 91.81% |
| CHEMBL3837 | P07711 | Cathepsin L | 83.48% | 96.61% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 83.22% | 90.17% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 82.72% | 93.03% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 82.22% | 99.17% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.50% | 95.89% |
| CHEMBL4101 | P17612 | cAMP-dependent protein kinase alpha-catalytic subunit | 81.44% | 82.86% |
| CHEMBL5028 | O14672 | ADAM10 | 81.42% | 97.50% |
| CHEMBL204 | P00734 | Thrombin | 80.00% | 96.01% |
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 | 75113009 |
| LOTUS | LTS0081062 |
| wikiData | Q105337956 |