Ac-Aib-Pro-Aib-Ala-Aib-Aib-Gln-Aib-Ile-Aib-Gly-Aib-Aib-Pro-Val-Aib-Iva-Gln-Gln-Leu-ol
| Internal ID | 2c3a6df4-07f1-4e28-b99b-646e40845d72 |
| Taxonomy | Organic Polymers > Polypeptides |
| IUPAC Name | (2S)-2-[[(2S)-2-[[(2S)-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-methylbutanoyl]amino]-5-amino-5-oxopentanoyl]amino]-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]pentanediamide |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C90H155N23O24/c1-29-48(7)62(101-74(131)83(14,15)105-66(123)54(37-40-59(93)118)98-73(130)84(16,17)109-76(133)86(20,21)104-63(120)49(8)95-72(129)82(12,13)106-68(125)56-34-32-42-113(56)79(136)88(24,25)102-50(9)115)70(127)108-81(10,11)71(128)94-44-60(119)103-85(18,19)75(132)110-89(26,27)80(137)112-41-31-33-55(112)67(124)100-61(47(5)6)69(126)107-87(22,23)77(134)111-90(28,30-2)78(135)99-53(36-39-58(92)117)65(122)97-52(35-38-57(91)116)64(121)96-51(45-114)43-46(3)4/h46-49,51-56,61-62,114H,29-45H2,1-28H3,(H2,91,116)(H2,92,117)(H2,93,118)(H,94,128)(H,95,129)(H,96,121)(H,97,122)(H,98,130)(H,99,135)(H,100,124)(H,101,131)(H,102,115)(H,103,119)(H,104,120)(H,105,123)(H,106,125)(H,107,126)(H,108,127)(H,109,133)(H,110,132)(H,111,134)/t48-,49-,51-,52-,53-,54-,55-,56-,61-,62-,90-/m0/s1 |
| InChI Key | REQOIECUJNXLSU-WDMOKMKFSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C90H155N23O24 |
| Molecular Weight | 1943.30 g/mol |
| Exact Mass | 1942.16153290 g/mol |
| Topological Polar Surface Area (TPSA) | 714.00 Ų |
| XlogP | -2.80 |
| 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 | 99.56% | 96.61% |
| CHEMBL220 | P22303 | Acetylcholinesterase | 99.47% | 94.45% |
| CHEMBL4018 | P49146 | Neuropeptide Y receptor type 2 | 98.85% | 98.94% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 98.80% | 98.33% |
| CHEMBL4588 | P22894 | Matrix metalloproteinase 8 | 98.13% | 94.66% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.83% | 96.09% |
| CHEMBL1914 | P06276 | Butyrylcholinesterase | 97.65% | 95.00% |
| CHEMBL333 | P08253 | Matrix metalloproteinase-2 | 97.47% | 96.31% |
| CHEMBL2815 | P04629 | Nerve growth factor receptor Trk-A | 97.38% | 87.16% |
| CHEMBL4625 | Q07817 | Apoptosis regulator Bcl-X | 97.29% | 99.77% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 97.18% | 93.56% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 96.95% | 100.00% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 96.86% | 97.25% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 96.40% | 91.19% |
| CHEMBL2730 | P21980 | Protein-glutamine gamma-glutamyltransferase | 96.33% | 92.38% |
| CHEMBL321 | P14780 | Matrix metalloproteinase 9 | 96.10% | 92.12% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 95.50% | 96.47% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 95.44% | 97.09% |
| CHEMBL2094135 | Q96BI3 | Gamma-secretase | 95.34% | 98.05% |
| CHEMBL4979 | P13866 | Sodium/glucose cotransporter 1 | 95.31% | 98.24% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 95.18% | 95.17% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 94.06% | 100.00% |
| CHEMBL3024 | P53350 | Serine/threonine-protein kinase PLK1 | 94.04% | 97.43% |
| CHEMBL4123 | P30989 | Neurotensin receptor 1 | 94.02% | 96.67% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 93.74% | 97.14% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 93.67% | 95.71% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 93.63% | 97.29% |
| CHEMBL4394 | Q9NYA1 | Sphingosine kinase 1 | 93.49% | 96.03% |
| CHEMBL236 | P41143 | Delta opioid receptor | 93.40% | 99.35% |
| CHEMBL283 | P08254 | Matrix metalloproteinase 3 | 93.40% | 97.29% |
| CHEMBL4777 | P25929 | Neuropeptide Y receptor type 1 | 92.90% | 96.67% |
| CHEMBL3437 | Q16853 | Amine oxidase, copper containing | 92.87% | 94.00% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 92.87% | 100.00% |
| CHEMBL4005 | P42336 | PI3-kinase p110-alpha subunit | 92.67% | 97.47% |
| CHEMBL1944495 | P28065 | Proteasome subunit beta type-9 | 92.35% | 97.50% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 92.24% | 97.64% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 92.08% | 95.38% |
| CHEMBL4816 | Q9Y243 | Serine/threonine-protein kinase AKT3 | 91.97% | 96.28% |
| CHEMBL3176 | O43603 | Galanin receptor 2 | 91.03% | 98.89% |
| CHEMBL5600 | P27448 | Serine/threonine-protein kinase c-TAK1 | 90.95% | 88.81% |
| CHEMBL2073 | P07947 | Tyrosine-protein kinase YES | 90.80% | 83.14% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 90.70% | 82.69% |
| CHEMBL2664 | P23526 | Adenosylhomocysteinase | 90.63% | 86.67% |
| CHEMBL332 | P03956 | Matrix metalloproteinase-1 | 90.34% | 94.50% |
| CHEMBL2492 | P36544 | Neuronal acetylcholine receptor protein alpha-7 subunit | 90.19% | 88.42% |
| CHEMBL206 | P03372 | Estrogen receptor alpha | 90.11% | 97.64% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 89.45% | 93.00% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 88.75% | 100.00% |
| CHEMBL3430907 | Q96GD4 | Aurora kinase B/Inner centromere protein | 88.54% | 97.50% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 88.50% | 92.86% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 88.09% | 98.10% |
| CHEMBL1873 | P00750 | Tissue-type plasminogen activator | 87.73% | 93.33% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 87.58% | 94.33% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 87.52% | 96.90% |
| CHEMBL3018 | Q9Y5Y6 | Matriptase | 87.49% | 98.33% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 87.46% | 99.17% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 87.32% | 98.75% |
| CHEMBL1075317 | P61964 | WD repeat-containing protein 5 | 87.02% | 96.33% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 86.99% | 91.11% |
| CHEMBL1907594 | P30926 | Neuronal acetylcholine receptor; alpha3/beta4 | 86.77% | 97.23% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 86.37% | 96.38% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 86.18% | 96.00% |
| CHEMBL3830 | Q2M2I8 | Adaptor-associated kinase | 86.05% | 83.10% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 85.94% | 89.63% |
| CHEMBL2534 | O15530 | 3-phosphoinositide dependent protein kinase-1 | 85.75% | 95.36% |
| CHEMBL4801 | P29466 | Caspase-1 | 85.72% | 96.85% |
| CHEMBL3392948 | Q9NP59 | Solute carrier family 40 member 1 | 85.25% | 95.00% |
| CHEMBL5701 | Q9H2K8 | Serine/threonine-protein kinase TAO3 | 85.01% | 96.67% |
| CHEMBL3238 | P23786 | Carnitine palmitoyltransferase 2 | 84.71% | 94.05% |
| CHEMBL2140 | P48775 | Tryptophan 2,3-dioxygenase | 84.69% | 98.46% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 84.31% | 90.08% |
| CHEMBL5261 | Q7L7X3 | Serine/threonine-protein kinase TAO1 | 84.03% | 89.33% |
| CHEMBL249 | P25103 | Neurokinin 1 receptor | 83.86% | 99.17% |
| CHEMBL1744525 | P43490 | Nicotinamide phosphoribosyltransferase | 83.59% | 96.25% |
| CHEMBL3691 | Q13822 | Autotaxin | 82.97% | 96.39% |
| CHEMBL3105 | P09874 | Poly [ADP-ribose] polymerase-1 | 82.71% | 93.90% |
| CHEMBL4073 | P09237 | Matrix metalloproteinase 7 | 82.69% | 97.56% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 82.63% | 90.71% |
| CHEMBL3776 | Q14790 | Caspase-8 | 82.58% | 97.06% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 82.55% | 92.88% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 82.39% | 93.04% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 82.38% | 89.50% |
| CHEMBL4660 | P28907 | Lymphocyte differentiation antigen CD38 | 82.01% | 95.27% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.78% | 95.89% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 81.41% | 82.38% |
| CHEMBL4296 | Q15858 | Sodium channel protein type IX alpha subunit | 81.41% | 96.11% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 81.16% | 95.50% |
| CHEMBL5028 | O14672 | ADAM10 | 80.79% | 97.50% |
| CHEMBL2007625 | O75874 | Isocitrate dehydrogenase [NADP] cytoplasmic | 80.27% | 99.00% |
| CHEMBL274 | P51681 | C-C chemokine receptor type 5 | 80.01% | 98.77% |
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 | 101639446 |
| LOTUS | LTS0211365 |
| wikiData | Q105235022 |