Ac-Phe-Aib-Aib-Aib-D-Iva-Gly-Leu-D-Iva-Aib-Hyp-Gln-D-Iva-Hyp-Aib-Pro-D-Phe-ol
| Internal ID | b577a2a2-ed8b-46d1-99e7-be5baab66025 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Peptides > Oligopeptides |
| IUPAC Name | (2S)-2-[[(2S,4R)-1-[2-[[(2R)-2-[[(2S)-2-[[2-[[(2R)-2-[[2-[[2-[[2-[[(2S)-2-acetamido-3-phenylpropanoyl]amino]-2-methylpropanoyl]amino]-2-methylpropanoyl]amino]-2-methylpropanoyl]amino]-2-methylbutanoyl]amino]acetyl]amino]-4-methylpentanoyl]amino]-2-methylbutanoyl]amino]-2-methylpropanoyl]-4-hydroxypyrrolidine-2-carbonyl]amino]-N-[(2R)-1-[(2S,4R)-4-hydroxy-2-[[1-[(2S)-2-[[(2R)-1-hydroxy-3-phenylpropan-2-yl]carbamoyl]pyrrolidin-1-yl]-2-methyl-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-2-methyl-1-oxobutan-2-yl]pentanediamide |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C83H129N17O20/c1-20-81(17,97-70(115)78(11,12)95-69(114)77(9,10)94-68(113)76(7,8)90-63(108)56(86-48(6)102)40-50-32-27-24-28-33-50)71(116)85-43-61(106)88-55(38-47(4)5)64(109)92-82(18,21-2)72(117)96-80(15,16)74(119)99-44-52(103)41-58(99)66(111)89-54(35-36-60(84)105)62(107)93-83(19,22-3)75(120)100-45-53(104)42-59(100)67(112)91-79(13,14)73(118)98-37-29-34-57(98)65(110)87-51(46-101)39-49-30-25-23-26-31-49/h23-28,30-33,47,51-59,101,103-104H,20-22,29,34-46H2,1-19H3,(H2,84,105)(H,85,116)(H,86,102)(H,87,110)(H,88,106)(H,89,111)(H,90,108)(H,91,112)(H,92,109)(H,93,107)(H,94,113)(H,95,114)(H,96,117)(H,97,115)/t51-,52-,53-,54+,55+,56+,57+,58+,59+,81-,82-,83-/m1/s1 |
| InChI Key | DGKRSIOCIYNNHE-UTJIKYAXSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C83H129N17O20 |
| Molecular Weight | 1685.00 g/mol |
| Exact Mass | 1683.95997957 g/mol |
| Topological Polar Surface Area (TPSA) | 543.00 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 | 99.92% | 98.95% |
| CHEMBL3837 | P07711 | Cathepsin L | 99.47% | 96.61% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 99.01% | 96.09% |
| CHEMBL220 | P22303 | Acetylcholinesterase | 98.56% | 94.45% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 98.35% | 98.33% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 98.15% | 90.17% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 97.72% | 97.14% |
| CHEMBL4394 | Q9NYA1 | Sphingosine kinase 1 | 96.75% | 96.03% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 96.28% | 82.69% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 96.03% | 97.64% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 95.79% | 91.19% |
| CHEMBL1914 | P06276 | Butyrylcholinesterase | 95.50% | 95.00% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 95.07% | 93.56% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 94.79% | 95.38% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 94.56% | 97.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.41% | 91.11% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 92.69% | 100.00% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 91.99% | 100.00% |
| CHEMBL4018 | P49146 | Neuropeptide Y receptor type 2 | 90.94% | 98.94% |
| CHEMBL1907594 | P30926 | Neuronal acetylcholine receptor; alpha3/beta4 | 90.73% | 97.23% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 90.52% | 93.00% |
| CHEMBL1944495 | P28065 | Proteasome subunit beta type-9 | 90.27% | 97.50% |
| CHEMBL4123 | P30989 | Neurotensin receptor 1 | 89.99% | 96.67% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 89.64% | 90.20% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 89.63% | 100.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.55% | 95.56% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 88.54% | 96.00% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 88.18% | 96.47% |
| CHEMBL5939 | Q9NZ08 | Endoplasmic reticulum aminopeptidase 1 | 87.65% | 100.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.49% | 95.89% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 87.40% | 95.50% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 87.16% | 90.71% |
| CHEMBL5701 | Q9H2K8 | Serine/threonine-protein kinase TAO3 | 87.10% | 96.67% |
| CHEMBL2664 | P23526 | Adenosylhomocysteinase | 85.76% | 86.67% |
| CHEMBL2535 | P11166 | Glucose transporter | 85.34% | 98.75% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 85.28% | 91.81% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 84.57% | 99.17% |
| CHEMBL4777 | P25929 | Neuropeptide Y receptor type 1 | 84.43% | 96.67% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 84.40% | 95.89% |
| CHEMBL3024 | P53350 | Serine/threonine-protein kinase PLK1 | 84.38% | 97.43% |
| CHEMBL5261 | Q7L7X3 | Serine/threonine-protein kinase TAO1 | 83.97% | 89.33% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 83.83% | 94.45% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 83.67% | 97.25% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 82.32% | 96.95% |
| CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 81.92% | 95.83% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.37% | 89.00% |
| CHEMBL5028 | O14672 | ADAM10 | 81.29% | 97.50% |
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 | 163059344 |
| LOTUS | LTS0097267 |
| wikiData | Q104978828 |