Mirubactin
| Internal ID | dfb2eb17-20b9-4dcd-a438-f726b4b84f63 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Peptides > Dipeptides |
| IUPAC Name | (2R)-2-[[(2R)-5-(diaminomethylideneamino)-2-[(2,3-dihydroxybenzoyl)amino]pentanoyl]amino]-5-[(2,3-dihydroxybenzoyl)oxy-formylamino]pentanoic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C26H32N6O11/c27-26(28)29-11-3-7-16(30-22(38)14-5-1-9-18(34)20(14)36)23(39)31-17(24(40)41)8-4-12-32(13-33)43-25(42)15-6-2-10-19(35)21(15)37/h1-2,5-6,9-10,13,16-17,34-37H,3-4,7-8,11-12H2,(H,30,38)(H,31,39)(H,40,41)(H4,27,28,29)/t16-,17-/m1/s1 |
| InChI Key | JANBVBCLMZUUHR-IAGOWNOFSA-N |
| Popularity | 4 references in papers |
| Molecular Formula | C26H32N6O11 |
| Molecular Weight | 604.60 g/mol |
| Exact Mass | 604.21290586 g/mol |
| Topological Polar Surface Area (TPSA) | 287.00 Ų |
| XlogP | 1.00 |
| DTXSID601336341 |
| 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 | 97.70% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.50% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.39% | 91.11% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 97.12% | 93.56% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 96.15% | 95.56% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 95.14% | 99.17% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 94.88% | 90.17% |
| CHEMBL3891 | P07384 | Calpain 1 | 91.68% | 93.04% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 89.61% | 96.00% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 88.93% | 90.20% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 88.24% | 100.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 86.27% | 94.73% |
| CHEMBL5028 | O14672 | ADAM10 | 85.11% | 97.50% |
| CHEMBL4578 | Q14680 | Maternal embryonic leucine zipper kinase | 85.04% | 81.58% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 84.84% | 95.17% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 84.16% | 95.50% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 84.01% | 100.00% |
| CHEMBL4101 | P17612 | cAMP-dependent protein kinase alpha-catalytic subunit | 83.50% | 82.86% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 83.45% | 91.19% |
| CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 81.85% | 97.36% |
| CHEMBL3830 | Q2M2I8 | Adaptor-associated kinase | 81.36% | 83.10% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 80.70% | 94.45% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 80.39% | 93.10% |
| CHEMBL3308 | P55212 | Caspase-6 | 80.25% | 97.56% |
| CHEMBL2535 | P11166 | Glucose transporter | 80.24% | 98.75% |
| CHEMBL3286 | P00749 | Urokinase-type plasminogen activator | 80.01% | 97.88% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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