Plantaricin D

Details

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Internal ID 986dfc29-d72b-4a15-a06d-866e8660abbe
Taxonomy Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Peptides > Oligopeptides
IUPAC Name 2-[[2-[[2-(2-aminopropanoylamino)-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]-N-[1-[[2-[[1-[[3-hydroxy-1-[[1-[(3-methyl-1-oxopentan-2-yl)amino]-1-oxopropan-2-yl]amino]-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]pentanediamide
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C40H71N11O13S/c1-10-20(4)28(17-52)49-34(58)23(7)45-40(64)32(24(8)54)51-35(59)22(6)44-31(56)16-43-36(60)26(13-14-65-9)47-37(61)25(11-12-30(42)55)46-38(62)27(15-19(2)3)48-39(63)29(18-53)50-33(57)21(5)41/h17,19-29,32,53-54H,10-16,18,41H2,1-9H3,(H2,42,55)(H,43,60)(H,44,56)(H,45,64)(H,46,62)(H,47,61)(H,48,63)(H,49,58)(H,50,57)(H,51,59)
InChI Key OWNMKWWFCSMKAU-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C40H71N11O13S
Molecular Weight 946.10 g/mol
Exact Mass 945.49535254 g/mol
Topological Polar Surface Area (TPSA) 414.00 Ų
XlogP -3.00

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of Plantaricin 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
CHEMBL4040 P28482 MAP kinase ERK2 99.89% 83.82%
CHEMBL230 P35354 Cyclooxygenase-2 99.88% 89.63%
CHEMBL236 P41143 Delta opioid receptor 99.48% 99.35%
CHEMBL2581 P07339 Cathepsin D 99.32% 98.95%
CHEMBL1907591 P30926 Neuronal acetylcholine receptor; alpha4/beta4 97.76% 100.00%
CHEMBL221 P23219 Cyclooxygenase-1 97.56% 90.17%
CHEMBL2094135 Q96BI3 Gamma-secretase 97.46% 98.05%
CHEMBL3359 P21462 Formyl peptide receptor 1 97.18% 93.56%
CHEMBL4018 P49146 Neuropeptide Y receptor type 2 97.01% 98.94%
CHEMBL3267 P48736 PI3-kinase p110-gamma subunit 96.72% 95.71%
CHEMBL1907594 P30926 Neuronal acetylcholine receptor; alpha3/beta4 96.27% 97.23%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 95.02% 96.09%
CHEMBL3176 O43603 Galanin receptor 2 94.60% 98.89%
CHEMBL3286 P00749 Urokinase-type plasminogen activator 94.12% 97.88%
CHEMBL259 P32245 Melanocortin receptor 4 93.83% 95.38%
CHEMBL220 P22303 Acetylcholinesterase 93.28% 94.45%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 92.32% 96.00%
CHEMBL3130 O00329 PI3-kinase p110-delta subunit 91.84% 96.47%
CHEMBL3060 Q9Y345 Glycine transporter 2 91.77% 99.17%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 91.69% 91.11%
CHEMBL2492 P36544 Neuronal acetylcholine receptor protein alpha-7 subunit 91.66% 88.42%
CHEMBL2413 P32246 C-C chemokine receptor type 1 91.48% 89.50%
CHEMBL2208 P49137 MAP kinase-activated protein kinase 2 91.35% 95.20%
CHEMBL2514 O95665 Neurotensin receptor 2 90.96% 100.00%
CHEMBL4625 Q07817 Apoptosis regulator Bcl-X 90.77% 99.77%
CHEMBL4777 P25929 Neuropeptide Y receptor type 1 89.98% 96.67%
CHEMBL1255126 O15151 Protein Mdm4 89.85% 90.20%
CHEMBL3892 Q99500 Sphingosine 1-phosphate receptor Edg-3 89.07% 97.29%
CHEMBL1795139 Q8IU80 Transmembrane protease serine 6 88.38% 98.33%
CHEMBL3392948 Q9NP59 Solute carrier family 40 member 1 87.17% 95.00%
CHEMBL1293267 Q9HC97 G-protein coupled receptor 35 86.05% 89.34%
CHEMBL4662 P28074 Proteasome Macropain subunit MB1 85.98% 93.85%
CHEMBL4801 P29466 Caspase-1 85.94% 96.85%
CHEMBL3308 P55212 Caspase-6 85.61% 97.56%
CHEMBL5163 Q9NY46 Sodium channel protein type III alpha subunit 85.61% 96.90%
CHEMBL4227 P25090 Lipoxin A4 receptor 85.48% 100.00%
CHEMBL4005 P42336 PI3-kinase p110-alpha subunit 85.15% 97.47%
CHEMBL5845 P23415 Glycine receptor subunit alpha-1 85.12% 90.71%
CHEMBL2111367 P27986 PI3-kinase p110-alpha/p85-alpha 84.98% 94.33%
CHEMBL4816 Q9Y243 Serine/threonine-protein kinase AKT3 84.63% 96.28%
CHEMBL3018 Q9Y5Y6 Matriptase 84.32% 98.33%
CHEMBL3024 P53350 Serine/threonine-protein kinase PLK1 84.18% 97.43%
CHEMBL3137262 O60341 LSD1/CoREST complex 83.53% 97.09%
CHEMBL2955 O95136 Sphingosine 1-phosphate receptor Edg-5 82.82% 92.86%
CHEMBL2885 P07451 Carbonic anhydrase III 82.50% 87.45%
CHEMBL2001 Q9H244 Purinergic receptor P2Y12 82.38% 96.00%
CHEMBL5701 Q9H2K8 Serine/threonine-protein kinase TAO3 82.02% 96.67%
CHEMBL3776 Q14790 Caspase-8 81.94% 97.06%
CHEMBL340 P08684 Cytochrome P450 3A4 81.91% 91.19%
CHEMBL2664 P23526 Adenosylhomocysteinase 81.88% 86.67%
CHEMBL2095164 P49354 Geranylgeranyl transferase type I 81.86% 92.80%
CHEMBL4478 Q00975 Voltage-gated N-type calcium channel alpha-1B subunit 81.86% 97.14%
CHEMBL3807 P17706 T-cell protein-tyrosine phosphatase 81.33% 93.00%
CHEMBL5261 Q7L7X3 Serine/threonine-protein kinase TAO1 80.70% 89.33%

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 139586697
LOTUS LTS0120944
wikiData Q77512425