Madurastatin A1
| Internal ID | 276efd06-21e1-4594-8d5c-da0aa5cc80c3 |
| Taxonomy | Organic acids and derivatives > Peptidomimetics > Hybrid peptides |
| IUPAC Name | (2R)-1-(2-hydroxybenzoyl)-N-[(2S)-1-[[3-[hydroxy-[5-[[(3S)-1-hydroxy-2-oxopiperidin-3-yl]amino]-4-(methylamino)-5-oxopentyl]amino]-3-oxopropyl]amino]-1-oxopropan-2-yl]aziridine-2-carboxamide |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C27H39N7O9/c1-16(30-25(39)20-15-32(20)26(40)17-7-3-4-10-21(17)35)23(37)29-12-11-22(36)33(42)13-5-8-18(28-2)24(38)31-19-9-6-14-34(43)27(19)41/h3-4,7,10,16,18-20,28,35,42-43H,5-6,8-9,11-15H2,1-2H3,(H,29,37)(H,30,39)(H,31,38)/t16-,18?,19-,20+,32?/m0/s1 |
| InChI Key | MSSLEZGTXPZRKM-HZYFQYOUSA-N |
| Popularity | 4 references in papers |
| Molecular Formula | C27H39N7O9 |
| Molecular Weight | 605.60 g/mol |
| Exact Mass | 605.28092585 g/mol |
| Topological Polar Surface Area (TPSA) | 221.00 Ų |
| XlogP | -1.40 |
| RefChem:925168 |
| CHEBI:199980 |
| (2R)-1-(2-hydroxybenzoyl)-N-[(2S)-1-[[3-[hydroxy-[5-[[(3S)-1-hydroxy-2-oxopiperidin-3-yl]amino]-4-(methylamino)-5-oxopentyl]amino]-3-oxopropyl]amino]-1-oxopropan-2-yl]aziridine-2-carboxamide |
| 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 | 99.93% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.72% | 96.09% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 97.12% | 98.33% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 95.19% | 93.56% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 94.24% | 93.10% |
| CHEMBL1914 | P06276 | Butyrylcholinesterase | 93.97% | 95.00% |
| CHEMBL5261 | Q7L7X3 | Serine/threonine-protein kinase TAO1 | 93.81% | 89.33% |
| CHEMBL5701 | Q9H2K8 | Serine/threonine-protein kinase TAO3 | 93.26% | 96.67% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.75% | 91.11% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 92.24% | 82.69% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 92.17% | 97.14% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 92.12% | 90.71% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.79% | 95.56% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 91.55% | 90.17% |
| CHEMBL4979 | P13866 | Sodium/glucose cotransporter 1 | 91.35% | 98.24% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 91.00% | 90.08% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 89.96% | 100.00% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 89.84% | 100.00% |
| CHEMBL5028 | O14672 | ADAM10 | 89.35% | 97.50% |
| CHEMBL220 | P22303 | Acetylcholinesterase | 89.23% | 94.45% |
| CHEMBL321 | P14780 | Matrix metalloproteinase 9 | 87.19% | 92.12% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 86.85% | 97.25% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 86.48% | 91.19% |
| CHEMBL204 | P00734 | Thrombin | 86.30% | 96.01% |
| CHEMBL1978 | P11511 | Cytochrome P450 19A1 | 86.27% | 91.76% |
| CHEMBL240 | Q12809 | HERG | 85.39% | 89.76% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 85.20% | 100.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 84.89% | 99.23% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 84.78% | 83.82% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 84.19% | 99.17% |
| CHEMBL3392948 | Q9NP59 | Solute carrier family 40 member 1 | 83.53% | 95.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 82.22% | 97.09% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 81.99% | 82.38% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 81.62% | 93.03% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 81.56% | 96.47% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 80.79% | 97.64% |
| CHEMBL274 | P51681 | C-C chemokine receptor type 5 | 80.78% | 98.77% |
| CHEMBL3729 | P22748 | Carbonic anhydrase IV | 80.27% | 99.23% |
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 | 139583873 |
| LOTUS | LTS0205462 |
| wikiData | Q75068726 |