Ac-Aib-Pro-Aib-Ala-Aib-Aib-Gln-Aib-Ile-Aib-Gly-Aib-Aib-Pro-Val-Aib-Aib-Gln-Gln-Leu-ol
| Internal ID | 266ff823-eaa1-490d-81e2-31e12a6de50b |
| Taxonomy | Organic Polymers > Polypeptides |
| IUPAC Name | (2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-[[(2S)-1-[2-[[2-[[2-[[2-[[(2S,3S)-2-[[2-[[(2S)-2-[[2-[[2-[[(2S)-2-[[2-[[(2S)-1-(2-acetamido-2-methylpropanoyl)pyrrolidine-2-carbonyl]amino]-2-methylpropanoyl]amino]propanoyl]amino]-2-methylpropanoyl]amino]-2-methylpropanoyl]amino]-5-amino-5-oxopentanoyl]amino]-2-methylpropanoyl]amino]-3-methylpentanoyl]amino]-2-methylpropanoyl]amino]acetyl]amino]-2-methylpropanoyl]amino]-2-methylpropanoyl]pyrrolidine-2-carbonyl]amino]-3-methylbutanoyl]amino]-2-methylpropanoyl]amino]-2-methylpropanoyl]amino]-5-amino-5-oxopentanoyl]amino]-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]pentanediamide |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C89H153N23O24/c1-29-47(6)61(100-74(131)82(13,14)104-65(122)53(36-39-58(92)117)98-73(130)84(17,18)108-76(133)86(21,22)103-62(119)48(7)94-71(128)81(11,12)105-67(124)55-33-31-41-112(55)78(135)88(25,26)101-49(8)114)69(126)107-80(9,10)70(127)93-43-59(118)102-85(19,20)75(132)110-89(27,28)79(136)111-40-30-32-54(111)66(123)99-60(46(4)5)68(125)106-87(23,24)77(134)109-83(15,16)72(129)97-52(35-38-57(91)116)64(121)96-51(34-37-56(90)115)63(120)95-50(44-113)42-45(2)3/h45-48,50-55,60-61,113H,29-44H2,1-28H3,(H2,90,115)(H2,91,116)(H2,92,117)(H,93,127)(H,94,128)(H,95,120)(H,96,121)(H,97,129)(H,98,130)(H,99,123)(H,100,131)(H,101,114)(H,102,118)(H,103,119)(H,104,122)(H,105,124)(H,106,125)(H,107,126)(H,108,133)(H,109,134)(H,110,132)/t47-,48-,50-,51-,52-,53-,54-,55-,60-,61-/m0/s1 |
| InChI Key | SLKNUWYCNCMUDU-IBZHQNROSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C89H153N23O24 |
| Molecular Weight | 1929.30 g/mol |
| Exact Mass | 1928.14588284 g/mol |
| Topological Polar Surface Area (TPSA) | 714.00 Ų |
| XlogP | -3.30 |
| 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 | 99.79% | 98.95% |
| CHEMBL3837 | P07711 | Cathepsin L | 99.64% | 96.61% |
| CHEMBL4018 | P49146 | Neuropeptide Y receptor type 2 | 98.86% | 98.94% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 98.80% | 98.33% |
| CHEMBL220 | P22303 | Acetylcholinesterase | 98.61% | 94.45% |
| CHEMBL4588 | P22894 | Matrix metalloproteinase 8 | 98.24% | 94.66% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.87% | 96.09% |
| CHEMBL333 | P08253 | Matrix metalloproteinase-2 | 97.58% | 96.31% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 97.31% | 97.25% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 97.18% | 93.56% |
| CHEMBL2730 | P21980 | Protein-glutamine gamma-glutamyltransferase | 96.95% | 92.38% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 96.89% | 100.00% |
| CHEMBL2815 | P04629 | Nerve growth factor receptor Trk-A | 96.67% | 87.16% |
| CHEMBL1914 | P06276 | Butyrylcholinesterase | 96.55% | 95.00% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 96.29% | 91.19% |
| CHEMBL4625 | Q07817 | Apoptosis regulator Bcl-X | 95.96% | 99.77% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 95.53% | 97.09% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 95.50% | 96.47% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 95.46% | 95.17% |
| CHEMBL2094135 | Q96BI3 | Gamma-secretase | 95.35% | 98.05% |
| CHEMBL321 | P14780 | Matrix metalloproteinase 9 | 95.35% | 92.12% |
| CHEMBL4979 | P13866 | Sodium/glucose cotransporter 1 | 94.91% | 98.24% |
| CHEMBL3024 | P53350 | Serine/threonine-protein kinase PLK1 | 94.11% | 97.43% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 94.06% | 100.00% |
| CHEMBL4123 | P30989 | Neurotensin receptor 1 | 94.00% | 96.67% |
| CHEMBL4394 | Q9NYA1 | Sphingosine kinase 1 | 93.97% | 96.03% |
| CHEMBL283 | P08254 | Matrix metalloproteinase 3 | 93.49% | 97.29% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 93.43% | 97.14% |
| CHEMBL4777 | P25929 | Neuropeptide Y receptor type 1 | 93.20% | 96.67% |
| CHEMBL236 | P41143 | Delta opioid receptor | 93.16% | 99.35% |
| CHEMBL4816 | Q9Y243 | Serine/threonine-protein kinase AKT3 | 93.16% | 96.28% |
| CHEMBL3437 | Q16853 | Amine oxidase, copper containing | 93.07% | 94.00% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 92.96% | 95.71% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 92.87% | 100.00% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 92.82% | 95.38% |
| CHEMBL4005 | P42336 | PI3-kinase p110-alpha subunit | 92.52% | 97.47% |
| CHEMBL1944495 | P28065 | Proteasome subunit beta type-9 | 92.35% | 97.50% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 92.32% | 82.69% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 92.24% | 97.64% |
| CHEMBL2492 | P36544 | Neuronal acetylcholine receptor protein alpha-7 subunit | 91.99% | 88.42% |
| CHEMBL2073 | P07947 | Tyrosine-protein kinase YES | 91.89% | 83.14% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 91.27% | 97.29% |
| CHEMBL3176 | O43603 | Galanin receptor 2 | 91.03% | 98.89% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 90.61% | 89.63% |
| CHEMBL2664 | P23526 | Adenosylhomocysteinase | 90.22% | 86.67% |
| CHEMBL332 | P03956 | Matrix metalloproteinase-1 | 90.04% | 94.50% |
| CHEMBL206 | P03372 | Estrogen receptor alpha | 89.96% | 97.64% |
| CHEMBL3830 | Q2M2I8 | Adaptor-associated kinase | 89.01% | 83.10% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 88.81% | 92.86% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 88.46% | 93.00% |
| CHEMBL3430907 | Q96GD4 | Aurora kinase B/Inner centromere protein | 88.21% | 97.50% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 87.80% | 100.00% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 87.77% | 98.10% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 87.76% | 91.11% |
| CHEMBL1907594 | P30926 | Neuronal acetylcholine receptor; alpha3/beta4 | 87.69% | 97.23% |
| CHEMBL3018 | Q9Y5Y6 | Matriptase | 87.49% | 98.33% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 87.46% | 99.17% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 87.45% | 94.33% |
| CHEMBL1873 | P00750 | Tissue-type plasminogen activator | 87.20% | 93.33% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 87.15% | 96.90% |
| CHEMBL4801 | P29466 | Caspase-1 | 87.09% | 96.85% |
| CHEMBL5600 | P27448 | Serine/threonine-protein kinase c-TAK1 | 86.85% | 88.81% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 86.30% | 98.75% |
| CHEMBL5701 | Q9H2K8 | Serine/threonine-protein kinase TAO3 | 86.12% | 96.67% |
| CHEMBL1075317 | P61964 | WD repeat-containing protein 5 | 86.10% | 96.33% |
| CHEMBL5261 | Q7L7X3 | Serine/threonine-protein kinase TAO1 | 85.84% | 89.33% |
| CHEMBL2140 | P48775 | Tryptophan 2,3-dioxygenase | 85.38% | 98.46% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 85.08% | 96.00% |
| CHEMBL2534 | O15530 | 3-phosphoinositide dependent protein kinase-1 | 84.86% | 95.36% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 84.81% | 96.95% |
| CHEMBL3238 | P23786 | Carnitine palmitoyltransferase 2 | 84.71% | 94.05% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 84.50% | 96.38% |
| CHEMBL1744525 | P43490 | Nicotinamide phosphoribosyltransferase | 84.00% | 96.25% |
| CHEMBL249 | P25103 | Neurokinin 1 receptor | 83.86% | 99.17% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 83.71% | 97.21% |
| CHEMBL3392948 | Q9NP59 | Solute carrier family 40 member 1 | 83.60% | 95.00% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 83.23% | 92.88% |
| CHEMBL3105 | P09874 | Poly [ADP-ribose] polymerase-1 | 82.78% | 93.90% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 82.65% | 90.08% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 82.63% | 90.71% |
| CHEMBL3776 | Q14790 | Caspase-8 | 82.21% | 97.06% |
| CHEMBL4073 | P09237 | Matrix metalloproteinase 7 | 82.03% | 97.56% |
| CHEMBL4660 | P28907 | Lymphocyte differentiation antigen CD38 | 82.01% | 95.27% |
| CHEMBL274 | P51681 | C-C chemokine receptor type 5 | 81.95% | 98.77% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 81.94% | 82.38% |
| CHEMBL5028 | O14672 | ADAM10 | 81.87% | 97.50% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.61% | 95.89% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 81.59% | 89.50% |
| CHEMBL4296 | Q15858 | Sodium channel protein type IX alpha subunit | 80.94% | 96.11% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 80.61% | 90.17% |
| CHEMBL3691 | Q13822 | Autotaxin | 80.58% | 96.39% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 80.52% | 93.04% |
| CHEMBL2007625 | O75874 | Isocitrate dehydrogenase [NADP] cytoplasmic | 80.52% | 99.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 80.23% | 94.45% |
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.
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| There are no matching plants. |
| PubChem | 101290468 |
| LOTUS | LTS0135837 |
| wikiData | Q105255384 |