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Suomilide

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 a0723ea7-4e92-4dee-a68f-1d558863cf3e
Taxonomy Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Peptides > Dipeptides
IUPAC Name [(2R,3S,4S,5R,6S)-6-[[6-[2-(1-carbamimidoyl-2,5-dihydropyrrol-3-yl)ethylcarbamoyl]-12-hydroxy-7-[(2R,3S)-2-[(2-methoxy-3-sulfooxypropanoyl)amino]-3-methylpentanoyl]-3-oxo-2-oxa-4,7-diazatricyclo[6.3.1.01,5]dodecan-10-yl]oxy]-5-hexanoyloxy-3,4-dihydroxyoxan-2-yl]methyl hexanoate
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C45H73N7O19S/c1-6-9-11-13-30(53)66-22-28-34(55)35(56)36(70-31(54)14-12-10-7-2)42(69-28)68-26-19-27-38(57)45(20-26)37(50-44(61)71-45)33(40(59)48-17-15-25-16-18-51(21-25)43(46)47)52(27)41(60)32(24(4)8-3)49-39(58)29(65-5)23-67-72(62,63)64/h16,24,26-29,32-38,42,55-57H,6-15,17-23H2,1-5H3,(H3,46,47)(H,48,59)(H,49,58)(H,50,61)(H,62,63,64)/t24-,26?,27?,28+,29?,32+,33?,34+,35-,36+,37?,38?,42-,45?/m0/s1
InChI Key KAKUZTRQMKJXIH-XQKBIKNYSA-N
Popularity 6 references in papers

Physical and Chemical Properties

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Molecular Formula C45H73N7O19S
Molecular Weight 1048.20 g/mol
Exact Mass 1047.46819430 g/mol
Topological Polar Surface Area (TPSA) 383.00 Ų
XlogP -0.60

Synonyms

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195256-59-8
DTXSID801046089

2D Structure

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2D Structure of Suomilide

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
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 99.76% 96.09%
CHEMBL2581 P07339 Cathepsin D 99.43% 98.95%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 99.24% 94.45%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 98.53% 91.11%
CHEMBL4588 P22894 Matrix metalloproteinase 8 98.53% 94.66%
CHEMBL230 P35354 Cyclooxygenase-2 98.11% 89.63%
CHEMBL3137262 O60341 LSD1/CoREST complex 97.73% 97.09%
CHEMBL253 P34972 Cannabinoid CB2 receptor 97.59% 97.25%
CHEMBL4462 Q8IXJ6 NAD-dependent deacetylase sirtuin 2 96.70% 90.24%
CHEMBL255 P29275 Adenosine A2b receptor 96.31% 98.59%
CHEMBL299 P17252 Protein kinase C alpha 96.24% 98.03%
CHEMBL2955 O95136 Sphingosine 1-phosphate receptor Edg-5 96.24% 92.86%
CHEMBL3267 P48736 PI3-kinase p110-gamma subunit 95.95% 95.71%
CHEMBL4657 Q6V1X1 Dipeptidyl peptidase VIII 95.61% 97.21%
CHEMBL4227 P25090 Lipoxin A4 receptor 95.46% 100.00%
CHEMBL2996 Q05655 Protein kinase C delta 95.32% 97.79%
CHEMBL3880 P07900 Heat shock protein HSP 90-alpha 94.93% 96.21%
CHEMBL3437 Q16853 Amine oxidase, copper containing 94.67% 94.00%
CHEMBL3359 P21462 Formyl peptide receptor 1 92.28% 93.56%
CHEMBL5255 O00206 Toll-like receptor 4 92.14% 92.50%
CHEMBL3392948 Q9NP59 Solute carrier family 40 member 1 91.89% 95.00%
CHEMBL340 P08684 Cytochrome P450 3A4 91.64% 91.19%
CHEMBL5043 Q6P179 Endoplasmic reticulum aminopeptidase 2 91.57% 91.81%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 91.10% 99.23%
CHEMBL3976 Q9UHL4 Dipeptidyl peptidase II 90.66% 92.29%
CHEMBL2514 O95665 Neurotensin receptor 2 90.65% 100.00%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 90.50% 96.00%
CHEMBL4816 Q9Y243 Serine/threonine-protein kinase AKT3 90.36% 96.28%
CHEMBL2111367 P27986 PI3-kinase p110-alpha/p85-alpha 90.30% 94.33%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 90.12% 95.56%
CHEMBL1744525 P43490 Nicotinamide phosphoribosyltransferase 89.99% 96.25%
CHEMBL5028 O14672 ADAM10 89.88% 97.50%
CHEMBL204 P00734 Thrombin 89.76% 96.01%
CHEMBL5163 Q9NY46 Sodium channel protein type III alpha subunit 89.71% 96.90%
CHEMBL3130 O00329 PI3-kinase p110-delta subunit 89.07% 96.47%
CHEMBL4303 P08238 Heat shock protein HSP 90-beta 88.69% 96.77%
CHEMBL335 P18031 Protein-tyrosine phosphatase 1B 88.50% 95.17%
CHEMBL3060 Q9Y345 Glycine transporter 2 88.32% 99.17%
CHEMBL5608 Q16288 NT-3 growth factor receptor 87.91% 95.89%
CHEMBL4581 P52732 Kinesin-like protein 1 87.31% 93.18%
CHEMBL5845 P23415 Glycine receptor subunit alpha-1 87.30% 90.71%
CHEMBL5469 Q14289 Protein tyrosine kinase 2 beta 87.26% 91.03%
CHEMBL333 P08253 Matrix metalloproteinase-2 87.20% 96.31%
CHEMBL2274 Q9H228 Sphingosine 1-phosphate receptor Edg-8 87.08% 100.00%
CHEMBL1806 P11388 DNA topoisomerase II alpha 87.05% 89.00%
CHEMBL4506 Q96EB6 NAD-dependent deacetylase sirtuin 1 87.02% 88.33%
CHEMBL4187 Q99250 Sodium channel protein type II alpha subunit 85.39% 95.50%
CHEMBL1907605 P24864 Cyclin-dependent kinase 2/cyclin E1 85.38% 92.88%
CHEMBL3045 P05771 Protein kinase C beta 84.94% 97.63%
CHEMBL4478 Q00975 Voltage-gated N-type calcium channel alpha-1B subunit 84.21% 97.14%
CHEMBL3892 Q99500 Sphingosine 1-phosphate receptor Edg-3 84.04% 97.29%
CHEMBL4685 P14902 Indoleamine 2,3-dioxygenase 84.00% 96.38%
CHEMBL5646 Q6L5J4 FML2_HUMAN 83.81% 100.00%
CHEMBL3776 Q14790 Caspase-8 82.37% 97.06%
CHEMBL3807 P17706 T-cell protein-tyrosine phosphatase 81.87% 93.00%
CHEMBL3476 O15111 Inhibitor of nuclear factor kappa B kinase alpha subunit 81.58% 95.83%
CHEMBL5600 P27448 Serine/threonine-protein kinase c-TAK1 81.19% 88.81%
CHEMBL1795139 Q8IU80 Transmembrane protease serine 6 80.41% 98.33%
CHEMBL2072 P35499 Sodium channel protein type IV alpha subunit 80.18% 92.32%

Plants that contains it

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Below are displayed all the plants proven (via scientific papers) to contain this compound!
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There are no matching plants.

Cross-Links

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PubChem 102505416
LOTUS LTS0180904
wikiData Q104203239