Ligand name: 5-(2-{2-[(TERT-BUTOXY-HYDROXY-METHYL)-AMINO]-1-HYDROXY-3-PHENYL-PROPYLAMINO}-3-HYDROXY-3-PENTYLAMINO-PROPYL)-2-CARBOXYMETHOXY-BENZOIC ACID
PDB ligand accession: TBH
DrugBank: DB02977
PubChem: 5289442
ChEMBL: n/a
InChI Key: WVFJFYADATXBBE-JIFQQKSFSA-N
SMILES: CCCCCNC(C(Cc1ccc(c(c1)C(=O)O)OCC(=O)O)NC(C(Cc2ccccc2)NC(O)OC(C)(C)C)O)O
Drug action: inhibitor

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Benzenoids
    • Class: Benzene and substituted derivatives
      • Subclass: Phenoxyacetic acid derivatives

List of drug binding-associated PTMs

List of PDB structures and/or AlphaFold models with target protein P18031

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
1JF7	Download	Experimental	e1jf7A1 e1jf7B1	Flavodoxin-like Flavodoxin-like	LigPlot