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Misgurin

Table of Contents

Details
Physical and Chemical Properties
Synonyms
2D Structure
3D Structure
ADMET Properties
Targets (proven and/or predicted)
Plants that contains it
Cross-Links

Details

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Internal ID 3a78edbe-c055-48d3-b5ed-0ccaca112884
Taxonomy Organic Polymers > Polypeptides
IUPAC Name (2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-amino-5-carbamimidamidopentanoyl]amino]-5-oxopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-methylbutanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]hexanoyl]amino]-3-phenylpropanoyl]amino]-3-hydroxypropanoyl]amino]hexanoyl]amino]hexanoyl]amino]acetyl]amino]propanoyl]amino]propanoyl]amino]propanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]hexanoic acid
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C106H189N41O29/c1-55(2)50-73(143-94(168)70(36-39-79(152)153)140-93(167)71(37-40-80(154)155)141-100(174)81(56(3)4)147-95(169)68(34-23-49-127-106(121)122)137-92(166)69(35-38-77(112)150)133-85(159)61(111)26-19-45-123-102(113)114)96(170)145-75(53-148)98(172)139-64(29-13-17-43-109)91(165)144-74(51-60-24-9-8-10-25-60)97(171)146-76(54-149)99(173)138-63(28-12-16-42-108)87(161)134-62(27-11-15-41-107)86(160)128-52-78(151)129-57(5)82(156)130-58(6)83(157)131-59(7)84(158)132-65(31-20-46-124-103(115)116)88(162)135-66(32-21-47-125-104(117)118)89(163)136-67(33-22-48-126-105(119)120)90(164)142-72(101(175)176)30-14-18-44-110/h8-10,24-25,55-59,61-76,81,148-149H,11-23,26-54,107-111H2,1-7H3,(H2,112,150)(H,128,160)(H,129,151)(H,130,156)(H,131,157)(H,132,158)(H,133,159)(H,134,161)(H,135,162)(H,136,163)(H,137,166)(H,138,173)(H,139,172)(H,140,167)(H,141,174)(H,142,164)(H,143,168)(H,144,165)(H,145,170)(H,146,171)(H,147,169)(H,152,153)(H,154,155)(H,175,176)(H4,113,114,123)(H4,115,116,124)(H4,117,118,125)(H4,119,120,126)(H4,121,122,127)/t57-,58-,59-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,81-/m0/s1
InChI Key MLIWTQXUIKBGEG-YQNYITMWSA-N
Popularity 4 references in papers

Physical and Chemical Properties

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Molecular Formula C106H189N41O29
Molecular Weight 2501.90 g/mol
Exact Mass 2501.4608440 g/mol
Topological Polar Surface Area (TPSA) 1220.00 Ų
XlogP -18.50

Synonyms

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RQRVEELSKFSKKGAAARRRK
CHEMBL1240723

2D Structure

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2D Structure of Misgurin

3D Structure

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ADMET Properties (via admetSAR 2)

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Target Value Probability (raw) Probability (%)
No predicted properties yet!

Targets

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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 99.96% 98.95%
CHEMBL221 P23219 Cyclooxygenase-1 99.78% 90.17%
CHEMBL1255126 O15151 Protein Mdm4 99.15% 90.20%
CHEMBL1795139 Q8IU80 Transmembrane protease serine 6 98.94% 98.33%
CHEMBL1907594 P30926 Neuronal acetylcholine receptor; alpha3/beta4 98.90% 97.23%
CHEMBL4040 P28482 MAP kinase ERK2 98.80% 83.82%
CHEMBL4018 P49146 Neuropeptide Y receptor type 2 98.74% 98.94%
CHEMBL4777 P25929 Neuropeptide Y receptor type 1 98.44% 96.67%
CHEMBL2514 O95665 Neurotensin receptor 2 98.32% 100.00%
CHEMBL3837 P07711 Cathepsin L 97.99% 96.61%
CHEMBL1907591 P30926 Neuronal acetylcholine receptor; alpha4/beta4 97.87% 100.00%
CHEMBL3359 P21462 Formyl peptide receptor 1 97.56% 93.56%
CHEMBL236 P41143 Delta opioid receptor 97.11% 99.35%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 97.07% 96.09%
CHEMBL230 P35354 Cyclooxygenase-2 97.06% 89.63%
CHEMBL3060 Q9Y345 Glycine transporter 2 97.05% 99.17%
CHEMBL5852 Q96P65 Pyroglutamylated RFamide peptide receptor 96.86% 85.00%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 96.62% 91.11%
CHEMBL3018 Q9Y5Y6 Matriptase 95.80% 98.33%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 93.53% 96.00%
CHEMBL4394 Q9NYA1 Sphingosine kinase 1 93.50% 96.03%
CHEMBL5043 Q6P179 Endoplasmic reticulum aminopeptidase 2 92.98% 91.81%
CHEMBL3807 P17706 T-cell protein-tyrosine phosphatase 92.94% 93.00%
CHEMBL3176 O43603 Galanin receptor 2 92.92% 98.89%
CHEMBL4625 Q07817 Apoptosis regulator Bcl-X 92.84% 99.77%
CHEMBL3130 O00329 PI3-kinase p110-delta subunit 92.17% 96.47%
CHEMBL3091268 Q92753 Nuclear receptor ROR-beta 91.76% 95.50%
CHEMBL4657 Q6V1X1 Dipeptidyl peptidase VIII 91.74% 97.21%
CHEMBL2094135 Q96BI3 Gamma-secretase 91.37% 98.05%
CHEMBL2072 P35499 Sodium channel protein type IV alpha subunit 90.52% 92.32%
CHEMBL4227 P25090 Lipoxin A4 receptor 90.34% 100.00%
CHEMBL2492 P36544 Neuronal acetylcholine receptor protein alpha-7 subunit 89.89% 88.42%
CHEMBL2095164 P49354 Geranylgeranyl transferase type I 89.83% 92.80%
CHEMBL5261 Q7L7X3 Serine/threonine-protein kinase TAO1 89.46% 89.33%
CHEMBL1293287 P14735 Insulin-degrading enzyme 88.63% 88.10%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 88.49% 95.56%
CHEMBL3392948 Q9NP59 Solute carrier family 40 member 1 88.02% 95.00%
CHEMBL4026 P40763 Signal transducer and activator of transcription 3 88.00% 82.69%
CHEMBL5701 Q9H2K8 Serine/threonine-protein kinase TAO3 87.90% 96.67%
CHEMBL4816 Q9Y243 Serine/threonine-protein kinase AKT3 87.73% 96.28%
CHEMBL5163 Q9NY46 Sodium channel protein type III alpha subunit 85.54% 96.90%
CHEMBL237 P41145 Kappa opioid receptor 85.35% 98.10%
CHEMBL1821 P08173 Muscarinic acetylcholine receptor M4 84.74% 94.08%
CHEMBL1628481 P35414 Apelin receptor 84.52% 97.89%
CHEMBL4101 P17612 cAMP-dependent protein kinase alpha-catalytic subunit 84.25% 82.86%
CHEMBL2664 P23526 Adenosylhomocysteinase 83.68% 86.67%
CHEMBL3137262 O60341 LSD1/CoREST complex 83.54% 97.09%
CHEMBL3476 O15111 Inhibitor of nuclear factor kappa B kinase alpha subunit 83.28% 95.83%
CHEMBL5845 P23415 Glycine receptor subunit alpha-1 83.06% 90.71%
CHEMBL335 P18031 Protein-tyrosine phosphatase 1B 83.00% 95.17%
CHEMBL3230 O95977 Sphingosine 1-phosphate receptor Edg-6 83.00% 94.01%
CHEMBL3004 P33527 Multidrug resistance-associated protein 1 82.79% 96.37%
CHEMBL2535 P11166 Glucose transporter 82.54% 98.75%
CHEMBL4801 P29466 Caspase-1 82.15% 96.85%
CHEMBL3891 P07384 Calpain 1 82.13% 93.04%
CHEMBL3308 P55212 Caspase-6 81.23% 97.56%
CHEMBL3776 Q14790 Caspase-8 80.90% 97.06%
CHEMBL3401 O75469 Pregnane X receptor 80.77% 94.73%
CHEMBL4444 P04070 Vitamin K-dependent protein C 80.54% 93.89%
CHEMBL4478 Q00975 Voltage-gated N-type calcium channel alpha-1B subunit 80.05% 97.14%

Plants that contains it

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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.
There are no matching plants.

Cross-Links

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PubChem 16137088
LOTUS LTS0085942
wikiData Q105166712