Ac-Trp-Ala-Aib-Aib-Leu-Aib-Gln-Aib-Aib-Aib-Gln-Leu-Aib-Gln-Leu-ol
| Internal ID | ece58ed7-9eb0-4537-99ad-7c2eb249eb48 |
| Taxonomy | Organic Polymers > Polypeptides |
| IUPAC Name | (2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[2-[[2-[[2-[[(2S)-2-[[2-[[(2S)-2-[[2-[[2-[[(2S)-2-[[(2S)-2-acetamido-3-(1H-indol-3-yl)propanoyl]amino]propanoyl]amino]-2-methylpropanoyl]amino]-2-methylpropanoyl]amino]-4-methylpentanoyl]amino]-2-methylpropanoyl]amino]-5-amino-5-oxopentanoyl]amino]-2-methylpropanoyl]amino]-2-methylpropanoyl]amino]-2-methylpropanoyl]amino]-5-amino-5-oxopentanoyl]amino]-4-methylpentanoyl]amino]-2-methylpropanoyl]amino]-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]pentanediamide |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C77H127N19O19/c1-39(2)33-45(38-97)84-58(103)48(27-30-54(78)99)86-64(109)71(9,10)92-62(107)51(34-40(3)4)85-59(104)49(28-31-55(79)100)87-66(111)73(13,14)95-70(115)77(21,22)96-69(114)76(19,20)91-61(106)50(29-32-56(80)101)88-65(110)72(11,12)93-63(108)52(35-41(5)6)89-67(112)74(15,16)94-68(113)75(17,18)90-57(102)42(7)82-60(105)53(83-43(8)98)36-44-37-81-47-26-24-23-25-46(44)47/h23-26,37,39-42,45,48-53,81,97H,27-36,38H2,1-22H3,(H2,78,99)(H2,79,100)(H2,80,101)(H,82,105)(H,83,98)(H,84,103)(H,85,104)(H,86,109)(H,87,111)(H,88,110)(H,89,112)(H,90,102)(H,91,106)(H,92,107)(H,93,108)(H,94,113)(H,95,115)(H,96,114)/t42-,45-,48-,49-,50-,51-,52-,53-/m0/s1 |
| InChI Key | QXMNSBVEOAGSSK-WWSPCDPFSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C77H127N19O19 |
| Molecular Weight | 1622.90 g/mol |
| Exact Mass | 1621.95556290 g/mol |
| Topological Polar Surface Area (TPSA) | 602.00 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 |
|---|---|---|---|---|
| CHEMBL3837 | P07711 | Cathepsin L | 99.91% | 96.61% |
| CHEMBL2581 | P07339 | Cathepsin D | 99.51% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.01% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.09% | 96.09% |
| CHEMBL1907594 | P30926 | Neuronal acetylcholine receptor; alpha3/beta4 | 96.82% | 97.23% |
| CHEMBL3830 | Q2M2I8 | Adaptor-associated kinase | 96.50% | 83.10% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.59% | 95.56% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 92.22% | 100.00% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 91.95% | 97.64% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 91.94% | 98.33% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 91.70% | 93.56% |
| CHEMBL2094135 | Q96BI3 | Gamma-secretase | 90.56% | 98.05% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 90.45% | 89.62% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 90.16% | 95.38% |
| CHEMBL4816 | Q9Y243 | Serine/threonine-protein kinase AKT3 | 89.99% | 96.28% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 89.32% | 96.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 88.28% | 98.75% |
| CHEMBL5939 | Q9NZ08 | Endoplasmic reticulum aminopeptidase 1 | 88.22% | 100.00% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 88.16% | 97.79% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 87.63% | 100.00% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 87.57% | 91.81% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 87.50% | 99.17% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 85.60% | 88.56% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 85.56% | 96.90% |
| CHEMBL213 | P08588 | Beta-1 adrenergic receptor | 85.55% | 95.56% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 84.83% | 90.20% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 83.60% | 96.95% |
| CHEMBL5028 | O14672 | ADAM10 | 83.48% | 97.50% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 82.91% | 91.19% |
| CHEMBL3176 | O43603 | Galanin receptor 2 | 82.55% | 98.89% |
| CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 81.98% | 95.83% |
| CHEMBL2095164 | P49354 | Geranylgeranyl transferase type I | 81.30% | 92.80% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 81.26% | 97.14% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 80.55% | 96.47% |
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 | 16138277 |
| LOTUS | LTS0128441 |
| wikiData | Q105229706 |