Ligand name: 4-{4-[(4'-chloro-5,5-dimethyl[3,4,5,6-tetrahydro[1,1'-biphenyl]]-2-yl)methyl]piperazin-1-yl}-N-[(3-nitro-4-{[(oxan-4-yl )methyl]amino}phenyl)sulfonyl]-2-[(1H-pyrrolo[2,3-b]pyridin-5-yl)oxy]benzamide
PDB ligand accession: LBM
DrugBank: DB11581
PubChem: 49846579
ChEMBL: CHEMBL3137309
InChI Key: LQBVNQSMGBZMKD-UHFFFAOYSA-N
SMILES: CC1(CCC(=C(C1)c2ccc(cc2)Cl)CN3CCN(CC3)c4ccc(c(c4)Oc5cc6cc[nH]c6nc5)C(=O)NS(=O)(=O)c7ccc(c(c7)[N+](=O)[O-])NCC8CCOCC8)C
Drug action: antagonist

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Diazinanes
      • Subclass: Piperazines

List of PDB structures and/or AlphaFold models with target protein P10415

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
6O0K	Download	Experimental	e6o0kA1	Toxins' membrane translocation domains	LigPlot
6O0M	Download	Experimental	e6o0mA1	Toxins' membrane translocation domains	LigPlot
6O0P	Download	Experimental	e6o0pA1	Toxins' membrane translocation domains	LigPlot
6O0L	Download	Experimental	e6o0lA1 e6o0lC1	Toxins' membrane translocation domains Toxins' membrane translocation domains	LigPlot