nodusmicin   Click here for help

GtoPdb Ligand ID: 11019

Synonyms: nodusmicin 1
Compound class: Natural product
Comment: Nodusmicin is an antibacterial produced by the soil-dwelling organism Saccharopolyspors kirsuta strain 367 [1]. It has activity against Gram-negative and Gram-positive bacteria.
2D Structure
Click here for help

2D Structure

An image of the ligand's 2D structure. For small molecules with SMILES these are drawn using the NCI/CADD Chemical Identifier Resolver. Click on the image to access the chemical structure search tool with the ligand pre-loaded in the structure editor. For other types of ligands, e.g. longer nucleotides and peptides, a manually drawn representation of the molecule may be provided.

✖
Click here for structure editor
Physico-chemical Properties
Click here for help

Physico-chemical Properties

Calculated molecular properties are available for small molecules and natural products (not peptides). Properties were generated using the CDK toolkit. All properties were selected to enable the prediction of the Lipinski Rule-of-Five profile or ‘druglikeness’ for each ligand. For more info on each category see the help pages.

✖
Hydrogen bond acceptors 7
Hydrogen bond donors 3
Rotatable bonds 2
Topological polar surface area 105.45
Molecular weight 422.23
XLogP -0.13
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Click here for help

SMILES / InChI / InChIKey

SMILES (Simplified Molecular Input Line Entry Specification) A specification for unambiguously describing the structure of chemical molecules using short ASCII strings. Canonical SMILES specify a unique representation of the 2D structure without chiral or isotopic specifications. Isomeric SMILES include chiral specification and isotopes.

Standard InChI (IUPAC International Chemical Identifier) and InChIKey InChI is a non-proprietary, standard, textual identifier for chemical substances designed to facilitate linking of information and database searching. An InChIKey is a simplified version of a full InChI, designed for easier web searching.

✖
Canonical SMILES CO[C@H]1C[C@H]2C=C[C@@H]3[C@@H]4[C@]2(O[C@H]3[C@@H]([C@@H]([C@H]4O)C)O)/C(=C\[C@H]([C@H](OC1=O)[C@H](O)C)C)/C
Isomeric SMILES CO[C@H]1C[C@H]2C=C[C@@H]3[C@@H]4[C@]2(O[C@H]3[C@@H]([C@@H]([C@H]4O)C)O)/C(=C\[C@H]([C@H](OC1=O)[C@H](O)C)C)/C
InChI InChI=1S/C23H34O7/c1-10-8-11(2)23-14(9-16(28-5)22(27)29-20(10)13(4)24)6-7-15-17(23)18(25)12(3)19(26)21(15)30-23/h6-8,10,12-21,24-26H,9H2,1-5H3/b11-8-/t10-,12-,13-,14-,15-,16+,17+,18-,19-,20+,21-,23+/m1/s1
InChI Key LUCYVUUQBYQHOV-GFCOOTNGSA-N

For advanced searching click here to open chemical structure editor

Similar Ligands Click here for help
tetronothiodin
Click here for ligand page
Targets
CCK2 receptor
phorbol 12-myristate 13-acetate
Click here for ligand page
Targets
KNa1.1; KNa1.2; Kir3.4; TRPV4
ivermectin
Click here for ligand page
Targets
Glycine Receptor (All subtypes); P2X4; P2X7; nicotinic acetylcholine receptor α7 subunit
4α-PDD
Click here for ligand page
Targets
TRPV4
bisandrographolide
Click here for ligand page
Targets
TRPV4
correolide
Click here for ligand page
Targets
Kv1.3
triamcinolone acetonide
Click here for ligand page
Targets
Glucocorticoid receptor
eplerenone
Click here for ligand page
Targets
Mineralocorticoid receptor
4α-PDH
Click here for ligand page
Targets
TRPV4
ginkgolide X
Click here for ligand page
Targets
glycine receptor α1 subunit; glycine receptor α2 subunit; glycine receptor β subunit
thapsigargin
Click here for ligand page
beclometasone dipropionate
Click here for ligand page
Targets
ADGRG3
wortmannin
Click here for ligand page
Targets
mechanistic target of rapamycin kinase; phosphatidylinositol 4-kinase alpha; phosphatidylinositol 4-kinase beta; phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit alpha; phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit beta; phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit delta; phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma; protein kinase, DNA-activated, catalytic subunit
amcinonide
Click here for ligand page
clobetasol propionate
Click here for ligand page
Targets
Glucocorticoid receptor
desonide
Click here for ligand page
diflorasone diacetate
Click here for ligand page
Targets
Glucocorticoid receptor
flumethasone pivalate
Click here for ligand page
flunisolide
Click here for ligand page
Targets
Glucocorticoid receptor
fluocinolone acetonide
Click here for ligand page
Targets
Glucocorticoid receptor
fluocinonide
Click here for ligand page
Targets
Glucocorticoid receptor
fluticasone propionate
Click here for ligand page
Targets
Glucocorticoid receptor; Mineralocorticoid receptor; Progesterone receptor
loteprednol etabonate
Click here for ligand page
budesonide
Click here for ligand page
Targets
Glucocorticoid receptor; Mineralocorticoid receptor; Progesterone receptor
ingenol mebutate
Click here for ligand page
Targets
protein kinase C alpha; protein kinase C beta; protein kinase C delta; protein kinase C epsilon; protein kinase C gamma
ciclesonide
Click here for ligand page
Targets
Glucocorticoid receptor
difluprednate
Click here for ligand page
Targets
Glucocorticoid receptor
prednicarbate
Click here for ligand page
fludroxycortide
Click here for ligand page
sonolisib
Click here for ligand page
tonantzitlolone
Click here for ligand page
Targets
TRPC4; TRPC5
fluticasone furoate
Click here for ligand page
luminamicin
Click here for ligand page
absinthin
Click here for ligand page
Targets
TAS2R30; TAS2R46
withaferin A
Click here for ligand page
Targets
CoV 3C-like (main) protease
withanone
Click here for ligand page
Targets
CoV 3C-like (main) protease