Ac-Aib-Aib-DL-Val-Aib-DL-Val-Aib-Aib-DL-Ala-Aib-DL-Pro-ol
| Internal ID | 5893f6cb-15b2-4f9b-83dc-bc8d9318b1c7 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Peptides |
| IUPAC Name | 2-[[2-[(2-acetamido-2-methylpropanoyl)amino]-2-methylpropanoyl]amino]-N-[1-[[1-[[1-[[1-[[1-[[1-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-methyl-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]-3-methylbutanamide |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C44H78N10O11/c1-23(2)28(47-35(62)41(11,12)52-36(63)42(13,14)48-26(6)56)31(58)50-39(7,8)34(61)46-29(24(3)4)32(59)51-43(15,16)37(64)53-40(9,10)33(60)45-25(5)30(57)49-44(17,18)38(65)54-21-19-20-27(54)22-55/h23-25,27-29,55H,19-22H2,1-18H3,(H,45,60)(H,46,61)(H,47,62)(H,48,56)(H,49,57)(H,50,58)(H,51,59)(H,52,63)(H,53,64) |
| InChI Key | ZNXWJXMRXSYRMW-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C44H78N10O11 |
| Molecular Weight | 923.20 g/mol |
| Exact Mass | 922.58515334 g/mol |
| Topological Polar Surface Area (TPSA) | 302.00 Ų |
| XlogP | 0.40 |
| 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 | 98.24% | 98.95% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 97.56% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.29% | 96.09% |
| CHEMBL4072 | P07858 | Cathepsin B | 94.81% | 93.67% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 93.44% | 98.33% |
| CHEMBL4394 | Q9NYA1 | Sphingosine kinase 1 | 92.85% | 96.03% |
| CHEMBL3837 | P07711 | Cathepsin L | 92.66% | 96.61% |
| CHEMBL4588 | P22894 | Matrix metalloproteinase 8 | 92.04% | 94.66% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 90.99% | 93.56% |
| CHEMBL333 | P08253 | Matrix metalloproteinase-2 | 90.62% | 96.31% |
| CHEMBL3437 | Q16853 | Amine oxidase, copper containing | 90.17% | 94.00% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 89.82% | 91.19% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 87.05% | 96.47% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 86.89% | 93.04% |
| CHEMBL4073 | P09237 | Matrix metalloproteinase 7 | 86.20% | 97.56% |
| CHEMBL2140 | P48775 | Tryptophan 2,3-dioxygenase | 85.60% | 98.46% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 85.47% | 100.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.19% | 97.09% |
| CHEMBL1873 | P00750 | Tissue-type plasminogen activator | 85.13% | 93.33% |
| CHEMBL4618 | P09960 | Leukotriene A4 hydrolase | 84.97% | 97.86% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 84.64% | 94.33% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.35% | 94.45% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 83.56% | 98.75% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 83.48% | 100.00% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 83.29% | 90.93% |
| CHEMBL4979 | P13866 | Sodium/glucose cotransporter 1 | 82.79% | 98.24% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 82.39% | 100.00% |
| CHEMBL3430907 | Q96GD4 | Aurora kinase B/Inner centromere protein | 82.02% | 97.50% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 81.98% | 100.00% |
| CHEMBL3691 | Q13822 | Autotaxin | 81.48% | 96.39% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 81.35% | 97.14% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 81.17% | 90.24% |
| CHEMBL4015 | P41597 | C-C chemokine receptor type 2 | 80.88% | 98.57% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 80.88% | 93.03% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.84% | 95.89% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 80.77% | 99.18% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 80.40% | 96.38% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 80.13% | 91.24% |
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 | 56664548 |
| LOTUS | LTS0213525 |
| wikiData | Q104202614 |