Ac-Aib-Ala-Aib-Ala-Aib-Ala-Aib-Val-Aib-Gly-Leu-Aib-D-Pro-D-Val-Aib-Aib-D-Glu-Gln-D-Phe-ol
| Internal ID | 815c7a1c-322f-40fe-ab57-0b017c7954fe |
| Taxonomy | Organic Polymers > Polypeptides |
| IUPAC Name | (4R)-4-[[2-[[2-[[(2R)-2-[[(2R)-1-[2-[[(2S)-2-[[2-[[2-[[(2S)-2-[[2-[[(2S)-2-[[2-[[(2S)-2-[[2-[[(2S)-2-[(2-acetamido-2-methylpropanoyl)amino]propanoyl]amino]-2-methylpropanoyl]amino]propanoyl]amino]-2-methylpropanoyl]amino]propanoyl]amino]-2-methylpropanoyl]amino]-3-methylbutanoyl]amino]-2-methylpropanoyl]amino]acetyl]amino]-4-methylpentanoyl]amino]-2-methylpropanoyl]pyrrolidine-2-carbonyl]amino]-3-methylbutanoyl]amino]-2-methylpropanoyl]amino]-2-methylpropanoyl]amino]-5-[[(2S)-5-amino-1-[[(2R)-1-hydroxy-3-phenylpropan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-5-oxopentanoic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C85H140N20O23/c1-43(2)39-54(92-57(109)41-87-70(121)78(11,12)102-69(120)60(45(5)6)96-75(126)82(19,20)100-63(114)48(9)90-73(124)81(17,18)99-62(113)47(8)89-72(123)80(15,16)98-61(112)46(7)88-71(122)79(13,14)97-49(10)107)66(117)101-85(25,26)77(128)105-38-30-33-55(105)67(118)95-59(44(3)4)68(119)103-84(23,24)76(127)104-83(21,22)74(125)94-53(35-37-58(110)111)65(116)93-52(34-36-56(86)108)64(115)91-51(42-106)40-50-31-28-27-29-32-50/h27-29,31-32,43-48,51-55,59-60,106H,30,33-42H2,1-26H3,(H2,86,108)(H,87,121)(H,88,122)(H,89,123)(H,90,124)(H,91,115)(H,92,109)(H,93,116)(H,94,125)(H,95,118)(H,96,126)(H,97,107)(H,98,112)(H,99,113)(H,100,114)(H,101,117)(H,102,120)(H,103,119)(H,104,127)(H,110,111)/t46-,47-,48-,51+,52-,53+,54-,55+,59+,60-/m0/s1 |
| InChI Key | WNJXIBZMJXEWMI-VCPXBPIHSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C85H140N20O23 |
| Molecular Weight | 1810.10 g/mol |
| Exact Mass | 1809.04002079 g/mol |
| Topological Polar Surface Area (TPSA) | 645.00 Ų |
| XlogP | -0.70 |
| 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 | 99.98% | 98.95% |
| CHEMBL3837 | P07711 | Cathepsin L | 99.17% | 96.61% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 98.68% | 98.33% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.96% | 96.09% |
| CHEMBL220 | P22303 | Acetylcholinesterase | 97.82% | 94.45% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 96.55% | 90.17% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 96.45% | 93.56% |
| CHEMBL1914 | P06276 | Butyrylcholinesterase | 96.33% | 95.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.64% | 91.11% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 95.04% | 97.14% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 94.96% | 97.64% |
| CHEMBL4394 | Q9NYA1 | Sphingosine kinase 1 | 94.53% | 96.03% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 94.33% | 91.19% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 93.85% | 93.00% |
| CHEMBL4979 | P13866 | Sodium/glucose cotransporter 1 | 93.75% | 98.24% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 93.14% | 100.00% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 92.74% | 82.69% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 92.71% | 100.00% |
| CHEMBL4018 | P49146 | Neuropeptide Y receptor type 2 | 92.30% | 98.94% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.16% | 97.09% |
| CHEMBL1873 | P00750 | Tissue-type plasminogen activator | 91.67% | 93.33% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 90.93% | 99.17% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 90.37% | 100.00% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 90.25% | 96.47% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 89.25% | 95.17% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.63% | 95.89% |
| CHEMBL2492 | P36544 | Neuronal acetylcholine receptor protein alpha-7 subunit | 88.61% | 88.42% |
| CHEMBL2664 | P23526 | Adenosylhomocysteinase | 88.32% | 86.67% |
| CHEMBL1907594 | P30926 | Neuronal acetylcholine receptor; alpha3/beta4 | 88.13% | 97.23% |
| CHEMBL1944495 | P28065 | Proteasome subunit beta type-9 | 87.80% | 97.50% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.23% | 95.56% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 86.74% | 96.00% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 85.18% | 97.21% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 84.92% | 95.38% |
| CHEMBL2535 | P11166 | Glucose transporter | 84.64% | 98.75% |
| CHEMBL1841 | P06241 | Tyrosine-protein kinase FYN | 84.33% | 81.29% |
| CHEMBL3024 | P53350 | Serine/threonine-protein kinase PLK1 | 84.28% | 97.43% |
| CHEMBL5701 | Q9H2K8 | Serine/threonine-protein kinase TAO3 | 83.75% | 96.67% |
| CHEMBL2095164 | P49354 | Geranylgeranyl transferase type I | 83.55% | 92.80% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 83.41% | 95.89% |
| CHEMBL2073 | P07947 | Tyrosine-protein kinase YES | 82.65% | 83.14% |
| CHEMBL5028 | O14672 | ADAM10 | 82.45% | 97.50% |
| CHEMBL4123 | P30989 | Neurotensin receptor 1 | 82.05% | 96.67% |
| CHEMBL3830 | Q2M2I8 | Adaptor-associated kinase | 81.67% | 83.10% |
| CHEMBL5261 | Q7L7X3 | Serine/threonine-protein kinase TAO1 | 81.40% | 89.33% |
| CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 80.93% | 95.83% |
| CHEMBL4588 | P22894 | Matrix metalloproteinase 8 | 80.91% | 94.66% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 80.29% | 95.50% |
| CHEMBL4801 | P29466 | Caspase-1 | 80.19% | 96.85% |
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 | 163106438 |
| LOTUS | LTS0128428 |
| wikiData | Q105309118 |