Ligand name: 2,6-BIS(1-METHYLETHYL)PHENOL
PDB ligand accession: PFL
DrugBank: DB00818
PubChem: 4943
ChEMBL: CHEMBL526
InChI Key: OLBCVFGFOZPWHH-UHFFFAOYSA-N
SMILES: CC(C)c1cccc(c1O)C(C)C
Drug action: n/a

ClassyFire chemical classification:

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

List of PDB structures and/or AlphaFold models with target protein Q7NDN8

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
5MUO	Download	Experimental	e5muoA2 e5muoB3 e5muoC3 e5muoD2 e5muoE2	Neurotransmitter-gated ion-channel transmembrane pore Neurotransmitter-gated ion-channel transmembrane pore Neurotransmitter-gated ion-channel transmembrane pore Neurotransmitter-gated ion-channel transmembrane pore Neurotransmitter-gated ion-channel transmembrane pore	LigPlot
5MUR	Download	Experimental	e5murB1 e5murB2 e5murE1 e5murE2	Neurotransmitter-gated ion-channel transmembrane pore Immunoglobulin-like beta-sandwich Immunoglobulin-like beta-sandwich Neurotransmitter-gated ion-channel transmembrane pore	LigPlot
5MVN	Download	Experimental	e5mvnB1 e5mvnB2 e5mvnC1 e5mvnC2 e5mvnD1 e5mvnD2 e5mvnE1 e5mvnE2	Immunoglobulin-like beta-sandwich Neurotransmitter-gated ion-channel transmembrane pore Neurotransmitter-gated ion-channel transmembrane pore Immunoglobulin-like beta-sandwich Immunoglobulin-like beta-sandwich Neurotransmitter-gated ion-channel transmembrane pore Neurotransmitter-gated ion-channel transmembrane pore Immunoglobulin-like beta-sandwich	LigPlot
3P50	Download	Experimental	e3p50A1 e3p50A2 e3p50B1 e3p50B2 e3p50C1 e3p50C2 e3p50D1 e3p50D2 e3p50E1 e3p50E2	Immunoglobulin-like beta-sandwich Neurotransmitter-gated ion-channel transmembrane pore Immunoglobulin-like beta-sandwich Neurotransmitter-gated ion-channel transmembrane pore Immunoglobulin-like beta-sandwich Neurotransmitter-gated ion-channel transmembrane pore Immunoglobulin-like beta-sandwich Neurotransmitter-gated ion-channel transmembrane pore Immunoglobulin-like beta-sandwich Neurotransmitter-gated ion-channel transmembrane pore	LigPlot
5MZR	Download	Experimental	e5mzrA1 e5mzrA2 e5mzrC1 e5mzrC2 e5mzrD1 e5mzrD2 e5mzrE1 e5mzrE2	Neurotransmitter-gated ion-channel transmembrane pore Immunoglobulin-like beta-sandwich Immunoglobulin-like beta-sandwich Neurotransmitter-gated ion-channel transmembrane pore Immunoglobulin-like beta-sandwich Neurotransmitter-gated ion-channel transmembrane pore Immunoglobulin-like beta-sandwich Neurotransmitter-gated ion-channel transmembrane pore	LigPlot
5MVM	Download	Experimental	e5mvmB2 e5mvmA1 e5mvmB2 e5mvmC1 e5mvmC1 e5mvmD1 e5mvmD1 e5mvmE1	Neurotransmitter-gated ion-channel transmembrane pore Neurotransmitter-gated ion-channel transmembrane pore Neurotransmitter-gated ion-channel transmembrane pore Neurotransmitter-gated ion-channel transmembrane pore Neurotransmitter-gated ion-channel transmembrane pore Neurotransmitter-gated ion-channel transmembrane pore Neurotransmitter-gated ion-channel transmembrane pore Neurotransmitter-gated ion-channel transmembrane pore	LigPlot