Ligand name: (2aE,4E,5'S,6S,6'R,7S,8E,11R,13R,15S,17aR,20R,20aR,20bS)-6'-[(2S)-butan-2-yl]-20,20b-dihydroxy-5',6,8,19-tetramethyl-17 -oxo-3',4',5',6,6',10,11,14,15,17,17a,20,20a,20b-tetradecahydro-2H,7H-spiro[11,15-methanofuro[4,3,2-pq][2,6]benzodioxacy clooctadecine-13,2'-pyran]-7-yl 2,6-dideoxy-4-O-(2,6-dideoxy-3-O-methyl-alpha-L-arabino-hexopyranosyl)-3-O-methyl-alpha-L-arabino-hexopyranoside
PDB ligand accession: IVM
DrugBank: n/a
PubChem: 6321424
ChEMBL: CHEMBL263291
InChI Key: AZSNMRSAGSSBNP-XPNPUAGNSA-N
SMILES: CCC(C)C1C(CCC2(O1)CC3CC(O2)CC=C(C(C(C=CC=C4COC5C4(C(C=C(C5O)C)C(=O)O3)O)C)OC6CC(C(C(O6)C)OC7CC(C(C(O7)C)O)OC)OC)C)C
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Phenylpropanoids and polyketides
    • Class: Macrolides and analogues
      • Subclass: Milbemycins

List of PDB structures and/or AlphaFold models with target protein O93430

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
8FE1	Download	Experimental	e8fe1A1 e8fe1A2 e8fe1B2 e8fe1D2 e8fe1E1 e8fe1E2 e8fe1D2 e8fe1C1 e8fe1C2 e8fe1C2 e8fe1B1 e8fe1B2	Neurotransmitter-gated ion-channel transmembrane pore Immunoglobulin-like beta-sandwich Neurotransmitter-gated ion-channel transmembrane pore Neurotransmitter-gated ion-channel transmembrane pore 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 Neurotransmitter-gated ion-channel transmembrane pore Immunoglobulin-like beta-sandwich Neurotransmitter-gated ion-channel transmembrane pore	LigPlot
6VM0	Download	Experimental	e6vm0A2 e6vm0B1 e6vm0B2 e6vm0A1 e6vm0A2 e6vm0E2 e6vm0C1 e6vm0D1 e6vm0D2 e6vm0C1 e6vm0C2 e6vm0B2 e6vm0E1 e6vm0E2 e6vm0D1	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 Neurotransmitter-gated ion-channel transmembrane pore Neurotransmitter-gated ion-channel transmembrane pore 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 Neurotransmitter-gated ion-channel transmembrane pore	LigPlot
6VM3	Download	Experimental	e6vm3A1 e6vm3B1 e6vm3B2 e6vm3A1 e6vm3A2 e6vm3E1 e6vm3C2 e6vm3D1 e6vm3D2 e6vm3C1 e6vm3C2 e6vm3B2 e6vm3E1 e6vm3E2 e6vm3D1	Neurotransmitter-gated ion-channel transmembrane pore Immunoglobulin-like beta-sandwich Neurotransmitter-gated ion-channel transmembrane pore Neurotransmitter-gated ion-channel transmembrane pore Immunoglobulin-like beta-sandwich Neurotransmitter-gated ion-channel transmembrane pore 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 Neurotransmitter-gated ion-channel transmembrane pore Immunoglobulin-like beta-sandwich Neurotransmitter-gated ion-channel transmembrane pore	LigPlot
6VM2	Download	Experimental	e6vm2A1 e6vm2B1 e6vm2B2 e6vm2A1 e6vm2A2 e6vm2E2 e6vm2C2 e6vm2D1 e6vm2D2 e6vm2C1 e6vm2C2 e6vm2B2 e6vm2E1 e6vm2E2 e6vm2D2	Neurotransmitter-gated ion-channel transmembrane pore Immunoglobulin-like beta-sandwich Neurotransmitter-gated ion-channel transmembrane pore Neurotransmitter-gated ion-channel transmembrane pore Immunoglobulin-like beta-sandwich Neurotransmitter-gated ion-channel transmembrane pore 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 Neurotransmitter-gated ion-channel transmembrane pore Immunoglobulin-like beta-sandwich Neurotransmitter-gated ion-channel transmembrane pore Neurotransmitter-gated ion-channel transmembrane pore	LigPlot
3JAF	Download	Experimental	e3jafA2 e3jafB1 e3jafB2 e3jafB2 e3jafC1 e3jafC2 e3jafC2 e3jafD1 e3jafD2 e3jafD1 e3jafE1 e3jafE2 e3jafA1 e3jafA2 e3jafE1	Neurotransmitter-gated ion-channel transmembrane pore Immunoglobulin-like beta-sandwich Neurotransmitter-gated ion-channel transmembrane pore Neurotransmitter-gated ion-channel transmembrane pore Immunoglobulin-like beta-sandwich Neurotransmitter-gated ion-channel transmembrane pore Neurotransmitter-gated ion-channel transmembrane pore Neurotransmitter-gated ion-channel transmembrane pore 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	LigPlot