Ac-Phe-Aib-Aib-Aib-Aib-Gly-Leu-D-Iva-Aib-Hyp-Gln-Aib-Hyp-Aib-Pro-D-Phe-ol
| Internal ID | 24bb367b-fa34-4bae-ab8a-bb9173db9a79 |
| 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-[[2-[[2-[[2-[[2-[[(2S)-2-acetamido-3-phenylpropanoyl]amino]-2-methylpropanoyl]amino]-2-methylpropanoyl]amino]-2-methylpropanoyl]amino]-2-methylpropanoyl]amino]acetyl]amino]-4-methylpentanoyl]amino]-2-methylbutanoyl]amino]-2-methylpropanoyl]-4-hydroxypyrrolidine-2-carbonyl]amino]-N-[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-oxopropan-2-yl]pentanediamide |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C81H125N17O20/c1-20-81(19,91-62(107)53(36-45(2)3)86-59(104)41-83-66(111)74(5,6)92-68(113)76(9,10)94-69(114)77(11,12)93-67(112)75(7,8)88-61(106)54(84-46(4)100)38-48-30-25-22-26-31-48)70(115)95-80(17,18)73(118)97-42-50(101)39-56(97)64(109)87-52(33-34-58(82)103)60(105)89-79(15,16)72(117)98-43-51(102)40-57(98)65(110)90-78(13,14)71(116)96-35-27-32-55(96)63(108)85-49(44-99)37-47-28-23-21-24-29-47/h21-26,28-31,45,49-57,99,101-102H,20,27,32-44H2,1-19H3,(H2,82,103)(H,83,111)(H,84,100)(H,85,108)(H,86,104)(H,87,109)(H,88,106)(H,89,105)(H,90,110)(H,91,107)(H,92,113)(H,93,112)(H,94,114)(H,95,115)/t49-,50-,51-,52+,53+,54+,55+,56+,57+,81-/m1/s1 |
| InChI Key | GXDCOMRETADJBG-QBYVBTSOSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C81H125N17O20 |
| Molecular Weight | 1657.00 g/mol |
| Exact Mass | 1655.92867944 g/mol |
| Topological Polar Surface Area (TPSA) | 543.00 Ų |
| XlogP | -0.60 |
| 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 | 99.93% | 98.95% |
| CHEMBL3837 | P07711 | Cathepsin L | 99.68% | 96.61% |
| CHEMBL220 | P22303 | Acetylcholinesterase | 99.51% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.94% | 96.09% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 98.34% | 98.33% |
| CHEMBL1914 | P06276 | Butyrylcholinesterase | 98.25% | 95.00% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 97.22% | 90.17% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 97.17% | 97.14% |
| CHEMBL4394 | Q9NYA1 | Sphingosine kinase 1 | 96.61% | 96.03% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 96.00% | 97.64% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 95.81% | 82.69% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 95.50% | 91.19% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 95.01% | 93.56% |
| CHEMBL1907594 | P30926 | Neuronal acetylcholine receptor; alpha3/beta4 | 94.28% | 97.23% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 93.78% | 97.09% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 92.67% | 95.38% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.98% | 91.11% |
| CHEMBL4018 | P49146 | Neuropeptide Y receptor type 2 | 91.95% | 98.94% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 91.87% | 100.00% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 91.19% | 100.00% |
| CHEMBL1944495 | P28065 | Proteasome subunit beta type-9 | 90.96% | 97.50% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 90.86% | 100.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 90.34% | 99.17% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 89.82% | 93.00% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 89.07% | 91.81% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 88.75% | 90.20% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.72% | 95.56% |
| CHEMBL4123 | P30989 | Neurotensin receptor 1 | 88.67% | 96.67% |
| CHEMBL3024 | P53350 | Serine/threonine-protein kinase PLK1 | 88.44% | 97.43% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 87.91% | 95.50% |
| CHEMBL2664 | P23526 | Adenosylhomocysteinase | 87.37% | 86.67% |
| CHEMBL5939 | Q9NZ08 | Endoplasmic reticulum aminopeptidase 1 | 87.26% | 100.00% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 87.16% | 96.00% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 86.91% | 96.47% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 86.62% | 90.71% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.28% | 95.89% |
| CHEMBL5701 | Q9H2K8 | Serine/threonine-protein kinase TAO3 | 85.18% | 96.67% |
| CHEMBL2535 | P11166 | Glucose transporter | 84.92% | 98.75% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 84.65% | 95.89% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 84.64% | 96.95% |
| CHEMBL4777 | P25929 | Neuropeptide Y receptor type 1 | 84.37% | 96.67% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 82.37% | 100.00% |
| CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 80.65% | 95.83% |
| CHEMBL1873 | P00750 | Tissue-type plasminogen activator | 80.23% | 93.33% |
| CHEMBL5028 | O14672 | ADAM10 | 80.00% | 97.50% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| PubChem | 162948799 |
| LOTUS | LTS0133862 |
| wikiData | Q105023012 |