Fabclavine Ib
| Internal ID | fe27e8d5-0be8-40a2-9db9-a34609a2ba82 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Peptides > Cyclic peptides |
| IUPAC Name | 2-amino-4-[[(2S)-1-[[6-(2-amino-2-oxoethyl)-3-[2-[1-hydroxy-3-oxo-3-[(11,19,27,35-tetraamino-3-hydroxyhexatriacontyl)amino]propyl]pyrrolidine-1-carbonyl]-2-methyl-5,8,11-trioxo-1,4,7-triazacycloundec-9-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-4-oxobutanoic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C68H121N13O12/c1-46(69)27-16-7-3-8-19-30-49(70)31-20-9-4-10-21-32-50(71)33-22-11-5-12-23-34-51(72)35-24-13-6-14-25-36-52(82)38-39-75-60(85)45-58(83)57-37-26-40-81(57)67(91)63-47(2)76-62(87)44-56(65(89)78-55(43-59(74)84)66(90)80-63)79-64(88)54(41-48-28-17-15-18-29-48)77-61(86)42-53(73)68(92)93/h15,17-18,28-29,46-47,49-58,63,82-83H,3-14,16,19-27,30-45,69-73H2,1-2H3,(H2,74,84)(H,75,85)(H,76,87)(H,77,86)(H,78,89)(H,79,88)(H,80,90)(H,92,93)/t46?,47?,49?,50?,51?,52?,53?,54-,55?,56?,57?,58?,63?/m0/s1 |
| InChI Key | IZSKWNSKICNTCU-KBXWAUECSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C68H121N13O12 |
| Molecular Weight | 1312.80 g/mol |
| Exact Mass | 1311.92576635 g/mol |
| Topological Polar Surface Area (TPSA) | 446.00 Ų |
| XlogP | 1.90 |
| 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 | 99.96% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 99.41% | 96.09% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 99.17% | 83.82% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 97.57% | 98.33% |
| CHEMBL236 | P41143 | Delta opioid receptor | 96.81% | 99.35% |
| CHEMBL4801 | P29466 | Caspase-1 | 96.54% | 96.85% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 95.97% | 96.47% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.91% | 91.11% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 95.86% | 97.64% |
| CHEMBL233 | P35372 | Mu opioid receptor | 95.16% | 97.93% |
| CHEMBL4979 | P13866 | Sodium/glucose cotransporter 1 | 94.71% | 98.24% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.69% | 94.45% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 93.91% | 90.17% |
| CHEMBL3837 | P07711 | Cathepsin L | 93.90% | 96.61% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 93.72% | 90.08% |
| CHEMBL3392948 | Q9NP59 | Solute carrier family 40 member 1 | 93.59% | 95.00% |
| CHEMBL4588 | P22894 | Matrix metalloproteinase 8 | 93.12% | 94.66% |
| CHEMBL2492 | P36544 | Neuronal acetylcholine receptor protein alpha-7 subunit | 92.31% | 88.42% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 91.88% | 90.71% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 91.61% | 99.17% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.57% | 97.09% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 91.44% | 100.00% |
| CHEMBL1744525 | P43490 | Nicotinamide phosphoribosyltransferase | 91.02% | 96.25% |
| CHEMBL2327 | P21452 | Neurokinin 2 receptor | 90.63% | 98.89% |
| CHEMBL1907594 | P30926 | Neuronal acetylcholine receptor; alpha3/beta4 | 90.51% | 97.23% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 90.35% | 90.20% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 89.86% | 97.14% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.55% | 95.89% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.45% | 95.56% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 88.24% | 93.56% |
| CHEMBL5028 | O14672 | ADAM10 | 88.10% | 97.50% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 88.09% | 93.00% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 87.59% | 93.03% |
| CHEMBL3976 | Q9UHL4 | Dipeptidyl peptidase II | 87.34% | 92.29% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 86.36% | 82.69% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 83.92% | 100.00% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 82.96% | 95.89% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 82.73% | 91.19% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.81% | 89.00% |
| CHEMBL4302 | P08183 | P-glycoprotein 1 | 80.36% | 92.98% |
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 | 145720648 |
| LOTUS | LTS0150460 |
| wikiData | Q105123442 |