Nikkomycin D

Details

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Internal ID bc673cf6-1899-44c8-9ea3-ffe7325b6e23
Taxonomy Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Alpha amino acids and derivatives > Alpha amino acids
IUPAC Name 2-amino-4-hydroxy-4-(5-hydroxy-2-pyridinyl)-3-methylbutanoic acid
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C10H14N2O4/c1-5(8(11)10(15)16)9(14)7-3-2-6(13)4-12-7/h2-5,8-9,13-14H,11H2,1H3,(H,15,16)
InChI Key LLWAOLQUJLWNSA-UHFFFAOYSA-N
Popularity 2 references in papers

Physical and Chemical Properties

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Molecular Formula C10H14N2O4
Molecular Weight 226.23 g/mol
Exact Mass 226.09535693 g/mol
Topological Polar Surface Area (TPSA) 117.00 Ų
XlogP -3.10

Synonyms

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NIKKOMYCIN D
SCHEMBL29663711
NSC-311324

2D Structure

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2D Structure of Nikkomycin 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 96.35% 83.82%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 95.57% 96.09%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 90.78% 85.14%
CHEMBL2107 P61073 C-X-C chemokine receptor type 4 89.55% 93.10%
CHEMBL3060 Q9Y345 Glycine transporter 2 86.82% 99.17%
CHEMBL2581 P07339 Cathepsin D 86.68% 98.95%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 85.72% 99.15%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 85.60% 95.56%
CHEMBL2035 P08912 Muscarinic acetylcholine receptor M5 84.53% 94.62%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 84.35% 94.45%
CHEMBL3359 P21462 Formyl peptide receptor 1 84.10% 93.56%
CHEMBL4208 P20618 Proteasome component C5 82.62% 90.00%
CHEMBL3091268 Q92753 Nuclear receptor ROR-beta 82.56% 95.50%
CHEMBL5845 P23415 Glycine receptor subunit alpha-1 82.53% 90.71%
CHEMBL1821 P08173 Muscarinic acetylcholine receptor M4 82.14% 94.08%
CHEMBL3976 Q9UHL4 Dipeptidyl peptidase II 81.96% 92.29%
CHEMBL2535 P11166 Glucose transporter 81.63% 98.75%
CHEMBL4973 P43004 Excitatory amino acid transporter 2 81.28% 98.75%

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 329321
LOTUS LTS0124625
wikiData Q105153757