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Microviridin D

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 e84bc8eb-0cfd-4eb4-884e-fa2eb91b7c1f
Taxonomy Organic Polymers > Polypeptides
IUPAC Name (2S)-2-[[(1S,4S,7R,10S,19S,22S,28S,31S,37R,38S,41S)-38-[[(2S)-2-[[2-[[(2S)-2-acetamido-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]-4-amino-4-oxobutanoyl]amino]-31-(hydroxymethyl)-22-[(4-hydroxyphenyl)methyl]-4-(1H-indol-3-ylmethyl)-7-(3-methoxy-3-oxopropyl)-37-methyl-41-(2-methylsulfanylethyl)-2,5,8,13,20,23,29,32,35,39,42-undecaoxo-36-oxa-3,6,9,14,21,24,30,33,40,43-decazatricyclo[17.14.10.024,28]tritetracontane-10-carbonyl]amino]-3-(4-hydroxyphenyl)propanoic acid
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C84H107N17O26S/c1-43-71(100-79(119)60(38-66(85)107)90-68(109)41-88-72(112)58(89-44(2)103)34-45-14-20-49(104)21-15-45)82(122)94-57(30-33-128-4)76(116)91-54-12-7-8-31-86-67(108)28-26-55(75(115)98-63(84(124)125)36-47-18-24-51(106)25-19-47)92-74(114)56(27-29-69(110)126-3)93-77(117)59(37-48-40-87-53-11-6-5-10-52(48)53)95-78(118)61(39-70(111)127-43)96-80(120)64(42-102)99-81(121)65-13-9-32-101(65)83(123)62(97-73(54)113)35-46-16-22-50(105)23-17-46/h5-6,10-11,14-25,40,43,54-65,71,87,102,104-106H,7-9,12-13,26-39,41-42H2,1-4H3,(H2,85,107)(H,86,108)(H,88,112)(H,89,103)(H,90,109)(H,91,116)(H,92,114)(H,93,117)(H,94,122)(H,95,118)(H,96,120)(H,97,113)(H,98,115)(H,99,121)(H,100,119)(H,124,125)/t43-,54+,55+,56-,57+,58+,59+,60+,61+,62+,63+,64+,65+,71+/m1/s1
InChI Key YEJXJFKDCRKSRQ-GWDSGTEWSA-N
Popularity 2 references in papers

Physical and Chemical Properties

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Molecular Formula C84H107N17O26S
Molecular Weight 1802.90 g/mol
Exact Mass 1801.72938776 g/mol
Topological Polar Surface Area (TPSA) 683.00 Ų
XlogP -1.00

Synonyms

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DTXSID401334820

2D Structure

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2D Structure of Microviridin D

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 99.99% 98.95%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 99.95% 91.11%
CHEMBL1255126 O15151 Protein Mdm4 98.71% 90.20%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 98.57% 96.09%
CHEMBL259 P32245 Melanocortin receptor 4 98.45% 95.38%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 98.41% 85.14%
CHEMBL2693 Q9UIQ6 Cystinyl aminopeptidase 98.21% 97.64%
CHEMBL4608 P33032 Melanocortin receptor 5 98.05% 97.00%
CHEMBL4644 P41968 Melanocortin receptor 3 97.86% 99.52%
CHEMBL4478 Q00975 Voltage-gated N-type calcium channel alpha-1B subunit 97.04% 97.14%
CHEMBL3137262 O60341 LSD1/CoREST complex 96.92% 97.09%
CHEMBL3060 Q9Y345 Glycine transporter 2 96.79% 99.17%
CHEMBL5103 Q969S8 Histone deacetylase 10 96.33% 90.08%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 95.63% 94.45%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 95.41% 99.23%
CHEMBL1806 P11388 DNA topoisomerase II alpha 94.85% 89.00%
CHEMBL5608 Q16288 NT-3 growth factor receptor 94.68% 95.89%
CHEMBL340 P08684 Cytochrome P450 3A4 94.58% 91.19%
CHEMBL4777 P25929 Neuropeptide Y receptor type 1 94.27% 96.67%
CHEMBL3476 O15111 Inhibitor of nuclear factor kappa B kinase alpha subunit 93.49% 95.83%
CHEMBL4040 P28482 MAP kinase ERK2 93.47% 83.82%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 93.40% 95.56%
CHEMBL5043 Q6P179 Endoplasmic reticulum aminopeptidase 2 93.38% 91.81%
CHEMBL2535 P11166 Glucose transporter 93.10% 98.75%
CHEMBL2069156 Q14145 Kelch-like ECH-associated protein 1 93.07% 82.38%
CHEMBL3310 Q96DB2 Histone deacetylase 11 92.71% 88.56%
CHEMBL321 P14780 Matrix metalloproteinase 9 92.13% 92.12%
CHEMBL3091268 Q92753 Nuclear receptor ROR-beta 91.52% 95.50%
CHEMBL2413 P32246 C-C chemokine receptor type 1 90.15% 89.50%
CHEMBL3830 Q2M2I8 Adaptor-associated kinase 89.00% 83.10%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 88.66% 99.15%
CHEMBL2000 P03952 Plasma kallikrein 88.60% 93.92%
CHEMBL2288 Q13526 Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 88.39% 91.71%
CHEMBL333 P08253 Matrix metalloproteinase-2 88.22% 96.31%
CHEMBL4296 Q15858 Sodium channel protein type IX alpha subunit 87.02% 96.11%
CHEMBL4101 P17612 cAMP-dependent protein kinase alpha-catalytic subunit 86.63% 82.86%
CHEMBL4394 Q9NYA1 Sphingosine kinase 1 85.97% 96.03%
CHEMBL3024 P53350 Serine/threonine-protein kinase PLK1 84.86% 97.43%
CHEMBL4187 Q99250 Sodium channel protein type II alpha subunit 84.24% 95.50%
CHEMBL241 Q14432 Phosphodiesterase 3A 84.08% 92.94%
CHEMBL2095172 P14867 GABA-A receptor; alpha-1/beta-2/gamma-2 83.75% 92.67%
CHEMBL5163 Q9NY46 Sodium channel protein type III alpha subunit 83.37% 96.90%
CHEMBL1744525 P43490 Nicotinamide phosphoribosyltransferase 82.76% 96.25%
CHEMBL1293249 Q13887 Kruppel-like factor 5 82.56% 86.33%
CHEMBL2274 Q9H228 Sphingosine 1-phosphate receptor Edg-8 82.55% 100.00%
CHEMBL4588 P22894 Matrix metalloproteinase 8 82.26% 94.66%
CHEMBL5939 Q9NZ08 Endoplasmic reticulum aminopeptidase 1 82.10% 100.00%
CHEMBL3891 P07384 Calpain 1 81.57% 93.04%
CHEMBL216 P11229 Muscarinic acetylcholine receptor M1 81.54% 94.23%
CHEMBL2094135 Q96BI3 Gamma-secretase 80.64% 98.05%
CHEMBL6175 Q9H3R0 Lysine-specific demethylase 4C 80.64% 96.69%
CHEMBL3807 P17706 T-cell protein-tyrosine phosphatase 80.55% 93.00%

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 139584841
LOTUS LTS0081917
wikiData Q77376815