Ligand name: (2~{S},4~{R})-~{N}-[[2-[2-[2-[2-[4-[3-azanyl-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-1-[(2~{S})-2-[(1-fluoranylcyclopropyl)carbonylamino]-3,3-dimethyl-butanoyl]-4-oxidanyl-pyrrolidine-2-carboxamide
PDB ligand accession: FX8
DrugBank: n/a
PubChem: 137628626
ChEMBL: n/a
InChI Key: QCULBRPVCWJUKY-OUMVKTTMSA-N
SMILES: Cc1c(scn1)c2ccc(c(c2)OCCOCCOCCN3CCN(CC3)c4cc(nnc4N)c5ccccc5O)CNC(=O)C6CC(CN6C(=O)C(C(C)(C)C)NC(=O)C7(CC7)F)O
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organic acids and derivatives
    • Class: Carboxylic acids and derivatives
      • Subclass: Amino acids, peptides, and analogues

List of PDB structures and/or AlphaFold models with target protein P51531

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
6HAY	Download	Experimental	e6hayB2 e6hayA1 e6hayE1 e6hayF1	Immunoglobulin-like beta-sandwich Bromodomain-like Bromodomain-like Immunoglobulin-like beta-sandwich	LigPlot