Ac-Aib-Aib-DL-Val-Aib-DL-xiIle-Aib-DL-Ala-DL-Ala-Aib-DL-Pro-ol
| Internal ID | 95ca2335-6186-4813-a7b4-4fd491e8e173 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Peptides |
| IUPAC Name | 2-[[2-[[2-[[2-[(2-acetamido-2-methylpropanoyl)amino]-2-methylpropanoyl]amino]-3-methylbutanoyl]amino]-2-methylpropanoyl]amino]-N-[1-[[1-[[1-[[1-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-methyl-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]-3-methylpentanamide |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C44H78N10O11/c1-18-24(4)30(48-36(62)41(10,11)51-33(59)29(23(2)3)47-37(63)42(12,13)53-38(64)43(14,15)49-27(7)56)34(60)52-40(8,9)35(61)46-25(5)31(57)45-26(6)32(58)50-44(16,17)39(65)54-21-19-20-28(54)22-55/h23-26,28-30,55H,18-22H2,1-17H3,(H,45,57)(H,46,61)(H,47,63)(H,48,62)(H,49,56)(H,50,58)(H,51,59)(H,52,60)(H,53,64) |
| InChI Key | HZQUHROMJDWEGY-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 | 0.50 |
| 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 | 98.89% | 98.95% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 98.00% | 97.25% |
| CHEMBL3837 | P07711 | Cathepsin L | 96.14% | 96.61% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.81% | 96.09% |
| CHEMBL4072 | P07858 | Cathepsin B | 94.67% | 93.67% |
| CHEMBL4588 | P22894 | Matrix metalloproteinase 8 | 94.00% | 94.66% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 93.92% | 98.33% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 93.47% | 93.56% |
| CHEMBL333 | P08253 | Matrix metalloproteinase-2 | 93.36% | 96.31% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 92.87% | 91.19% |
| CHEMBL4394 | Q9NYA1 | Sphingosine kinase 1 | 91.79% | 96.03% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 90.84% | 90.93% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 90.81% | 100.00% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 88.89% | 100.00% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 88.52% | 93.04% |
| CHEMBL1873 | P00750 | Tissue-type plasminogen activator | 87.65% | 93.33% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.07% | 97.09% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 86.98% | 96.47% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 86.53% | 96.61% |
| CHEMBL3437 | Q16853 | Amine oxidase, copper containing | 86.25% | 94.00% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 86.20% | 92.86% |
| CHEMBL4801 | P29466 | Caspase-1 | 86.16% | 96.85% |
| CHEMBL4073 | P09237 | Matrix metalloproteinase 7 | 86.11% | 97.56% |
| CHEMBL2140 | P48775 | Tryptophan 2,3-dioxygenase | 85.67% | 98.46% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 85.45% | 99.18% |
| CHEMBL3430907 | Q96GD4 | Aurora kinase B/Inner centromere protein | 85.35% | 97.50% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 84.83% | 96.38% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 84.65% | 94.33% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 84.45% | 100.00% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 83.65% | 100.00% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 83.44% | 98.75% |
| CHEMBL3691 | Q13822 | Autotaxin | 83.40% | 96.39% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 82.88% | 96.95% |
| CHEMBL4979 | P13866 | Sodium/glucose cotransporter 1 | 82.78% | 98.24% |
| CHEMBL4018 | P49146 | Neuropeptide Y receptor type 2 | 82.36% | 98.94% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 82.36% | 97.14% |
| CHEMBL4618 | P09960 | Leukotriene A4 hydrolase | 82.27% | 97.86% |
| CHEMBL4005 | P42336 | PI3-kinase p110-alpha subunit | 82.08% | 97.47% |
| CHEMBL4361 | Q07820 | Induced myeloid leukemia cell differentiation protein Mcl-1 | 81.94% | 95.52% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 81.90% | 96.90% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 81.04% | 97.21% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 80.90% | 93.03% |
| CHEMBL1075317 | P61964 | WD repeat-containing protein 5 | 80.46% | 96.33% |
| CHEMBL3202 | P48147 | Prolyl endopeptidase | 80.41% | 90.65% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 80.30% | 95.17% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.28% | 95.89% |
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compound!
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| PubChem | 56681245 |
| LOTUS | LTS0199119 |
| wikiData | Q104168548 |