Delftibactin B
| Internal ID | a7f5f4f0-ac06-467f-945f-396cd1704bc0 |
| Taxonomy | Organic acids and derivatives > Peptidomimetics > Hybrid peptides |
| IUPAC Name | 4-[[1-[[2-[[(Z)-1-[[5-[acetyl(hydroxy)amino]-1-[[1-[[5-(diaminomethylideneamino)-1-[(1-hydroxy-2-oxopiperidin-3-yl)amino]-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxobut-2-en-2-yl]amino]-2-oxoethyl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-[(4-amino-3-hydroxy-2-methylpentanoyl)amino]-2-hydroxy-4-oxobutanoic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C41H70N14O18/c1-6-22(47-27(59)16-46-37(67)28(20(4)57)52-38(68)29(31(61)40(70)71)53-32(62)18(2)30(60)19(3)42)33(63)48-24(11-8-14-54(72)21(5)58)35(65)51-26(17-56)36(66)49-23(10-7-13-45-41(43)44)34(64)50-25-12-9-15-55(73)39(25)69/h6,18-20,23-26,28-31,56-57,60-61,72-73H,7-17,42H2,1-5H3,(H,46,67)(H,47,59)(H,48,63)(H,49,66)(H,50,64)(H,51,65)(H,52,68)(H,53,62)(H,70,71)(H4,43,44,45)/b22-6- |
| InChI Key | YHBAYFBDFCGZTI-HCDFXORVSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C41H70N14O18 |
| Molecular Weight | 1047.10 g/mol |
| Exact Mass | 1046.49925144 g/mol |
| Topological Polar Surface Area (TPSA) | 523.00 Ų |
| XlogP | -10.40 |
| There are no found synonyms. |
| 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 | 99.75% | 98.95% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 99.39% | 83.82% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.03% | 96.09% |
| CHEMBL3837 | P07711 | Cathepsin L | 97.57% | 96.61% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 97.34% | 93.10% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 96.65% | 98.33% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.20% | 94.45% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 95.72% | 93.00% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 95.54% | 100.00% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 95.53% | 96.47% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 95.43% | 97.09% |
| CHEMBL2094135 | Q96BI3 | Gamma-secretase | 95.32% | 98.05% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.24% | 91.11% |
| CHEMBL4072 | P07858 | Cathepsin B | 94.74% | 93.67% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 93.82% | 90.17% |
| CHEMBL4588 | P22894 | Matrix metalloproteinase 8 | 93.76% | 94.66% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 93.47% | 93.56% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 93.38% | 99.17% |
| CHEMBL236 | P41143 | Delta opioid receptor | 93.35% | 99.35% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 93.06% | 95.38% |
| CHEMBL3392948 | Q9NP59 | Solute carrier family 40 member 1 | 91.39% | 95.00% |
| CHEMBL220 | P22303 | Acetylcholinesterase | 91.38% | 94.45% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 90.62% | 90.71% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 90.48% | 90.08% |
| CHEMBL4777 | P25929 | Neuropeptide Y receptor type 1 | 88.32% | 96.67% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 87.87% | 91.19% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 87.21% | 100.00% |
| CHEMBL204 | P00734 | Thrombin | 87.13% | 96.01% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 86.41% | 96.90% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.90% | 95.89% |
| CHEMBL4394 | Q9NYA1 | Sphingosine kinase 1 | 85.85% | 96.03% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 85.55% | 98.10% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.28% | 95.56% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 84.84% | 96.00% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 84.71% | 97.29% |
| CHEMBL4296 | Q15858 | Sodium channel protein type IX alpha subunit | 84.69% | 96.11% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 84.68% | 96.38% |
| CHEMBL1873 | P00750 | Tissue-type plasminogen activator | 84.67% | 93.33% |
| CHEMBL2492 | P36544 | Neuronal acetylcholine receptor protein alpha-7 subunit | 84.65% | 88.42% |
| CHEMBL2534 | O15530 | 3-phosphoinositide dependent protein kinase-1 | 84.35% | 95.36% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 84.32% | 89.63% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 83.77% | 95.50% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 83.50% | 100.00% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 83.22% | 93.03% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 83.17% | 95.89% |
| CHEMBL1744525 | P43490 | Nicotinamide phosphoribosyltransferase | 82.82% | 96.25% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 82.30% | 97.14% |
| CHEMBL5028 | O14672 | ADAM10 | 81.85% | 97.50% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 81.31% | 99.23% |
| CHEMBL333 | P08253 | Matrix metalloproteinase-2 | 80.51% | 96.31% |
| CHEMBL4608 | P33032 | Melanocortin receptor 5 | 80.04% | 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.
To see more specific details click the taxa you are interested in.
| There are no matching plants. |
| PubChem | 70680459 |
| LOTUS | LTS0219565 |
| wikiData | Q105348333 |