LP2006
| Internal ID | 018a218a-15f9-41b0-a410-c477cb31ce6e |
| Taxonomy | Organic acids and derivatives > Peptidomimetics > Hybrid peptides |
| IUPAC Name | (4R,7S,10S,13S,16R)-16-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(3S,11S,14S,20S,23S,26S)-23-(2-amino-2-oxoethyl)-14-benzyl-3-(3-carbamimidamidopropyl)-20-(1H-indol-3-ylmethyl)-2,5,8,13,16,19,22,25-octaoxo-1,4,7,12,15,18,21,24-octazabicyclo[24.3.0]nonacosane-11-carbonyl]amino]-4-oxobutanoyl]amino]-3-carboxypropanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-hydroxypropanoyl]amino]-10-(3-carbamimidamidopropyl)-6,9,12,15-tetraoxo-7,13-di(propan-2-yl)-1,2-dithia-5,8,11,14-tetrazacycloheptadecane-4-carboxylic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C88H121N27O24S2/c1-42(2)70-83(135)104-51(21-12-26-95-87(91)92)74(126)113-71(43(3)4)84(136)112-62(86(138)139)41-141-140-40-61(81(133)114-70)111-80(132)60(39-116)110-76(128)56(31-46-36-98-50-20-11-9-18-48(46)50)106-79(131)59(34-69(122)123)108-77(129)57(32-64(89)117)107-73(125)52-24-25-66(119)99-37-67(120)101-53(22-13-27-96-88(93)94)85(137)115-28-14-23-63(115)82(134)109-58(33-65(90)118)78(130)105-55(30-45-35-97-49-19-10-8-17-47(45)49)72(124)100-38-68(121)102-54(75(127)103-52)29-44-15-6-5-7-16-44/h5-11,15-20,35-36,42-43,51-63,70-71,97-98,116H,12-14,21-34,37-41H2,1-4H3,(H2,89,117)(H2,90,118)(H,99,119)(H,100,124)(H,101,120)(H,102,121)(H,103,127)(H,104,135)(H,105,130)(H,106,131)(H,107,125)(H,108,129)(H,109,134)(H,110,128)(H,111,132)(H,112,136)(H,113,126)(H,114,133)(H,122,123)(H,138,139)(H4,91,92,95)(H4,93,94,96)/t51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,70-,71-/m0/s1 |
| InChI Key | DGLXWTNAXWDXII-QUIRKDHJSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C88H121N27O24S2 |
| Molecular Weight | 2005.20 g/mol |
| Exact Mass | 2003.8519202 g/mol |
| Topological Polar Surface Area (TPSA) | 873.00 Ų |
| XlogP | -4.70 |
| 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 | 99.97% | 98.95% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 99.92% | 83.82% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 99.83% | 96.09% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 99.64% | 97.64% |
| CHEMBL1914 | P06276 | Butyrylcholinesterase | 99.44% | 95.00% |
| CHEMBL333 | P08253 | Matrix metalloproteinase-2 | 99.16% | 96.31% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.73% | 91.11% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 98.50% | 90.08% |
| CHEMBL261 | P00915 | Carbonic anhydrase I | 98.40% | 96.76% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 98.36% | 94.45% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 98.11% | 91.81% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 97.99% | 88.56% |
| CHEMBL3392948 | Q9NP59 | Solute carrier family 40 member 1 | 97.72% | 95.00% |
| CHEMBL4296 | Q15858 | Sodium channel protein type IX alpha subunit | 97.65% | 96.11% |
| CHEMBL4462 | Q8IXJ6 | NAD-dependent deacetylase sirtuin 2 | 97.35% | 90.24% |
| CHEMBL3837 | P07711 | Cathepsin L | 97.19% | 96.61% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 96.65% | 85.14% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 96.65% | 98.33% |
| CHEMBL2821 | P00748 | Coagulation factor XII | 96.58% | 96.21% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 96.02% | 97.14% |
| CHEMBL4588 | P22894 | Matrix metalloproteinase 8 | 96.00% | 94.66% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 95.80% | 93.10% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 95.64% | 96.90% |
| CHEMBL4777 | P25929 | Neuropeptide Y receptor type 1 | 95.54% | 96.67% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.37% | 95.56% |
| CHEMBL2492 | P36544 | Neuronal acetylcholine receptor protein alpha-7 subunit | 94.76% | 88.42% |
| CHEMBL1801 | P00747 | Plasminogen | 94.72% | 92.44% |
| CHEMBL4071 | P08311 | Cathepsin G | 94.65% | 94.64% |
| CHEMBL1907594 | P30926 | Neuronal acetylcholine receptor; alpha3/beta4 | 94.20% | 97.23% |
| CHEMBL2093869 | P05106 | Integrin alpha-IIb/beta-3 | 94.14% | 95.42% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 93.93% | 95.50% |
| CHEMBL3468 | P55210 | Caspase-7 | 93.89% | 95.68% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 93.62% | 91.71% |
| CHEMBL3524 | P56524 | Histone deacetylase 4 | 93.41% | 92.97% |
| CHEMBL1293287 | P14735 | Insulin-degrading enzyme | 93.39% | 88.10% |
| CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 93.16% | 95.83% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 92.56% | 95.89% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 92.10% | 90.17% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 91.60% | 95.38% |
| CHEMBL5896 | O75164 | Lysine-specific demethylase 4A | 91.42% | 99.09% |
| CHEMBL321 | P14780 | Matrix metalloproteinase 9 | 91.42% | 92.12% |
| CHEMBL4979 | P13866 | Sodium/glucose cotransporter 1 | 91.36% | 98.24% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 91.19% | 93.00% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 90.72% | 98.59% |
| CHEMBL1075317 | P61964 | WD repeat-containing protein 5 | 90.63% | 96.33% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.17% | 97.09% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 89.89% | 82.38% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 89.64% | 90.20% |
| CHEMBL5261 | Q7L7X3 | Serine/threonine-protein kinase TAO1 | 89.34% | 89.33% |
| CHEMBL4394 | Q9NYA1 | Sphingosine kinase 1 | 88.98% | 96.03% |
| CHEMBL4801 | P29466 | Caspase-1 | 88.87% | 96.85% |
| CHEMBL3729 | P22748 | Carbonic anhydrase IV | 88.60% | 99.23% |
| CHEMBL1628481 | P35414 | Apelin receptor | 88.30% | 97.89% |
| CHEMBL5028 | O14672 | ADAM10 | 88.00% | 97.50% |
| CHEMBL3830 | Q2M2I8 | Adaptor-associated kinase | 87.62% | 83.10% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 87.57% | 90.93% |
| CHEMBL5805 | Q9NR97 | Toll-like receptor 8 | 87.36% | 96.25% |
| CHEMBL1744525 | P43490 | Nicotinamide phosphoribosyltransferase | 86.95% | 96.25% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 86.71% | 99.23% |
| CHEMBL213 | P08588 | Beta-1 adrenergic receptor | 86.29% | 95.56% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 86.17% | 91.19% |
| CHEMBL5701 | Q9H2K8 | Serine/threonine-protein kinase TAO3 | 86.12% | 96.67% |
| CHEMBL2072 | P35499 | Sodium channel protein type IV alpha subunit | 85.82% | 92.32% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 85.79% | 100.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 85.55% | 98.75% |
| CHEMBL220 | P22303 | Acetylcholinesterase | 85.38% | 94.45% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 85.29% | 93.03% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 85.09% | 96.47% |
| CHEMBL4018 | P49146 | Neuropeptide Y receptor type 2 | 85.05% | 98.94% |
| CHEMBL3024 | P53350 | Serine/threonine-protein kinase PLK1 | 85.00% | 97.43% |
| CHEMBL3713062 | P10646 | Tissue factor pathway inhibitor | 84.33% | 97.33% |
| CHEMBL3155 | P34969 | Serotonin 7 (5-HT7) receptor | 84.29% | 90.71% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 83.89% | 100.00% |
| CHEMBL3384 | Q16512 | Protein kinase N1 | 83.40% | 80.71% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.30% | 89.00% |
| CHEMBL1781 | P11387 | DNA topoisomerase I | 83.09% | 97.00% |
| CHEMBL1980 | Q14524 | Sodium channel protein type V alpha subunit | 83.05% | 92.50% |
| CHEMBL2094135 | Q96BI3 | Gamma-secretase | 82.92% | 98.05% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 82.67% | 95.50% |
| CHEMBL3176 | O43603 | Galanin receptor 2 | 82.19% | 98.89% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 81.88% | 99.17% |
| CHEMBL2068 | P29317 | Ephrin type-A receptor 2 | 81.64% | 97.49% |
| CHEMBL5852 | Q96P65 | Pyroglutamylated RFamide peptide receptor | 81.60% | 85.00% |
| CHEMBL4330 | Q9NS75 | Cysteinyl leukotriene receptor 2 | 81.11% | 98.00% |
| CHEMBL3202 | P48147 | Prolyl endopeptidase | 81.04% | 90.65% |
| CHEMBL4302 | P08183 | P-glycoprotein 1 | 80.58% | 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 | 124080863 |
| LOTUS | LTS0084957 |
| wikiData | Q104978883 |