Ac-Trp-Ala-Aib-Aib-Leu-Aib-Gln-Ala-Aib-Aib-Gln-Leu-Ala-Gln-Leu-ol
| Internal ID | e966fdcc-5ed1-4ee9-97cb-e7c77776708d |
| Taxonomy | Organic Polymers > Polypeptides |
| IUPAC Name | (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-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]propanoyl]amino]-2-methylpropanoyl]amino]-2-methylpropanoyl]amino]-5-amino-5-oxopentanoyl]amino]-4-methylpentanoyl]amino]propanoyl]amino]-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]pentanediamide |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C75H123N19O19/c1-37(2)31-45(36-95)84-61(104)48(25-28-54(76)97)85-57(100)40(7)80-63(106)51(32-38(3)4)86-62(105)50(27-30-56(78)99)88-67(110)72(13,14)93-69(112)74(17,18)90-58(101)41(8)81-60(103)49(26-29-55(77)98)87-66(109)71(11,12)92-65(108)52(33-39(5)6)89-68(111)73(15,16)94-70(113)75(19,20)91-59(102)42(9)82-64(107)53(83-43(10)96)34-44-35-79-47-24-22-21-23-46(44)47/h21-24,35,37-42,45,48-53,79,95H,25-34,36H2,1-20H3,(H2,76,97)(H2,77,98)(H2,78,99)(H,80,106)(H,81,103)(H,82,107)(H,83,96)(H,84,104)(H,85,100)(H,86,105)(H,87,109)(H,88,110)(H,89,111)(H,90,101)(H,91,102)(H,92,108)(H,93,112)(H,94,113)/t40-,41-,42-,45-,48-,49-,50-,51-,52-,53-/m0/s1 |
| InChI Key | XUDMXSOGZXPSFH-VGZPNFRYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C75H123N19O19 |
| Molecular Weight | 1594.90 g/mol |
| Exact Mass | 1593.92426277 g/mol |
| Topological Polar Surface Area (TPSA) | 602.00 Ų |
| XlogP | -1.10 |
| 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 | 98.99% | 91.11% |
| CHEMBL1907594 | P30926 | Neuronal acetylcholine receptor; alpha3/beta4 | 98.00% | 97.23% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.09% | 96.09% |
| CHEMBL3830 | Q2M2I8 | Adaptor-associated kinase | 96.27% | 83.10% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 94.14% | 100.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.59% | 95.56% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 92.13% | 98.33% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 91.95% | 97.64% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 91.70% | 93.56% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 90.74% | 95.38% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 90.60% | 89.62% |
| CHEMBL2094135 | Q96BI3 | Gamma-secretase | 90.55% | 98.05% |
| CHEMBL4816 | Q9Y243 | Serine/threonine-protein kinase AKT3 | 89.77% | 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% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 88.04% | 100.00% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 87.70% | 97.79% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 87.57% | 91.81% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 87.50% | 99.17% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 85.66% | 96.90% |
| CHEMBL213 | P08588 | Beta-1 adrenergic receptor | 85.55% | 95.56% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 84.88% | 88.56% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 84.87% | 90.20% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 83.60% | 96.95% |
| CHEMBL5028 | O14672 | ADAM10 | 83.48% | 97.50% |
| CHEMBL2095164 | P49354 | Geranylgeranyl transferase type I | 83.15% | 92.80% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 82.91% | 91.19% |
| CHEMBL3176 | O43603 | Galanin receptor 2 | 82.61% | 98.89% |
| CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 81.98% | 95.83% |
| CHEMBL1914 | P06276 | Butyrylcholinesterase | 81.79% | 95.00% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 81.43% | 96.47% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 81.26% | 97.14% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 81.04% | 92.88% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 80.17% | 97.09% |
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 | 16136825 |
| LOTUS | LTS0122840 |
| wikiData | Q105342139 |