pseudoaeruginosin NS1
| Internal ID | 0b2333e5-0119-4c1d-b357-a34a392ec172 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > N-acyl-alpha amino acids and derivatives |
| IUPAC Name | (2S,4S)-N-[5-(diaminomethylideneamino)-1-oxopentan-2-yl]-1-[(2S)-2-(hexanoylamino)-3-(4-hydroxyphenyl)propanoyl]-4-methylpyrrolidine-2-carboxamide |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C27H42N6O5/c1-3-4-5-8-24(36)32-22(15-19-9-11-21(35)12-10-19)26(38)33-16-18(2)14-23(33)25(37)31-20(17-34)7-6-13-30-27(28)29/h9-12,17-18,20,22-23,35H,3-8,13-16H2,1-2H3,(H,31,37)(H,32,36)(H4,28,29,30)/t18-,20?,22-,23-/m0/s1 |
| InChI Key | ULFMNSXBTYDMFI-JLWWHIBLSA-N |
| Popularity | 4 references in papers |
| Molecular Formula | C27H42N6O5 |
| Molecular Weight | 530.70 g/mol |
| Exact Mass | 530.32166846 g/mol |
| Topological Polar Surface Area (TPSA) | 180.00 Ų |
| XlogP | 1.70 |
| DTXSID301334746 |
| (2S,4S)-N-(5-(diaminomethylideneamino)-1-oxopentan-2-yl)-1-((2S)-2-(hexanoylamino)-3-(4-hydroxyphenyl)propanoyl)-4-methylpyrrolidine-2-carboxamide |
| (2S,4S)-N-[5-(diaminomethylideneamino)-1-oxopentan-2-yl]-1-[(2S)-2-(hexanoylamino)-3-(4-hydroxyphenyl)propanoyl]-4-methylpyrrolidine-2-carboxamide |
| RefChem:176890 |
| DTXCID801764219 |
| (2S,4S)-N-((2S)-5-(diaminomethylideneamino)-1-oxopentan-2-yl)-1-((2S)-2-(hexanoylamino)-3-(4-hydroxyphenyl)propanoyl)-4-methylpyrrolidine-2-carboxamide |
| (2S,4S)-N-(5-guanidino-1-oxopentan-2-yl)-1-(hexanoyl-L-tyrosyl)-4-methylpyrrolidine-2-carboxamide |
| CHEBI:212838 |
| N-Hexanoyl-L-tyrosyl-(4S)-N-{5-[(diaminomethylidene)amino]-1-oxopentan-2-yl}-4-methyl-L-prolinamide |
| 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 | 99.65% | 98.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 98.98% | 99.17% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.53% | 96.09% |
| CHEMBL3837 | P07711 | Cathepsin L | 98.11% | 96.61% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 96.60% | 90.71% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.04% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.04% | 94.45% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 94.57% | 91.81% |
| CHEMBL4072 | P07858 | Cathepsin B | 93.98% | 93.67% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 93.29% | 93.10% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 93.20% | 100.00% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 92.91% | 82.69% |
| CHEMBL3891 | P07384 | Calpain 1 | 92.86% | 93.04% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 92.41% | 92.08% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.14% | 95.56% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.07% | 97.09% |
| CHEMBL1907594 | P30926 | Neuronal acetylcholine receptor; alpha3/beta4 | 90.99% | 97.23% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 90.12% | 95.89% |
| CHEMBL2535 | P11166 | Glucose transporter | 89.71% | 98.75% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 89.62% | 97.21% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 89.18% | 91.19% |
| CHEMBL2431 | P31751 | Serine/threonine-protein kinase AKT2 | 89.17% | 98.33% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 88.91% | 90.24% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 87.93% | 100.00% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 87.57% | 100.00% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 86.64% | 89.63% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.39% | 86.33% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 86.30% | 93.56% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 85.88% | 90.20% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 85.67% | 98.33% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.21% | 95.89% |
| CHEMBL2001 | Q9H244 | Purinergic receptor P2Y12 | 85.15% | 96.00% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 85.09% | 100.00% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 84.35% | 93.00% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 83.86% | 97.64% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 83.17% | 90.00% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 82.64% | 92.86% |
| CHEMBL3392948 | Q9NP59 | Solute carrier family 40 member 1 | 82.43% | 95.00% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 82.24% | 97.29% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 81.93% | 95.38% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 81.34% | 96.95% |
| CHEMBL4644 | P41968 | Melanocortin receptor 3 | 80.81% | 99.52% |
| CHEMBL4608 | P33032 | Melanocortin receptor 5 | 80.08% | 97.00% |
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.
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| There are no matching plants. |
| PubChem | 146683670 |
| LOTUS | LTS0082725 |
| wikiData | Q105275076 |