BDBM50648717 E391::Fytic acid::Acide fytique::Acido fitico::Alkalovert::Dermofeel pa-3::Exfoderm::Inositol hexaphosphate::Inositol hexaphosphoric acid::Inositolhexaphosphoric acid::Phytic acid::NSC-269896::Phytic acid solution

SMILES O=P(O)(O)O[C@H]1[C@H](OP(=O)(O)O)[C@@H](OP(=O)(O)O)[C@H](OP(=O)(O)O)[C@@H](OP(=O)(O)O)[C@H]1OP(=O)(O)O

InChI Key

PDB links: 255 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50648717   

TargetToxin B(Peptoclostridium difficile)
McGill University

Curated by ChEMBL
LigandPNGBDBM50648717(E391 | Fytic acid | Acide fytique | Acido fitico |...)
Affinity DataKd:  1.36E+3nMAssay Description:Binding affinity to His6 tagged Clostridioides difficile Toxin B truncated cysteine protease domain (543 to 799 residues) extracted from Escherichia ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetToxin B(Peptoclostridium difficile)
McGill University

Curated by ChEMBL
LigandPNGBDBM50648717(E391 | Fytic acid | Acide fytique | Acido fitico |...)
Affinity DataEC50:  8.39E+3nMAssay Description:Allosteric activation of Clostridioides difficile Toxin B assessed as induction of autoproteolysis measured after 3 hrs by Western blot based extent ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetToxin B(Peptoclostridium difficile)
McGill University

Curated by ChEMBL
LigandPNGBDBM50648717(E391 | Fytic acid | Acide fytique | Acido fitico |...)
Affinity DataEC50:  5.36E+5nMAssay Description:Allosteric activation of Clostridioides difficile Toxin B assessed as induction of autoproteolysis measured after 3 hrs in presence of CaCl2, MgCl2, ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMedPDB3D3D Structure (crystal)