Ligand · LD2

LD2 · 6-[(1E)-2-phenyl-N-(3-sulfanyl-4H-1,2,4-triazol-4-yl)ethanimidoyl]-2H-1,4-benzoxazin-3(4H)-one

LD2, 6-[(1E)-2-phenyl-N-(3-sulfanyl-4H-1,2,4-triazol-4-yl)ethanimidoyl]-2H-1,4-benzoxazin-3(4H)-one (C18 H15 N5 O2 S, 365.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its…

Component: LD2
Formula: C18 H15 N5 O2 S
Class: ligand
Structures: 2
PDB entries: 1

Binding sites

LD2 in 2 structures; the first of them:

3VHV · Mineralocorticoid receptor ligand-binding domain with non-steroidal antagonist · LD2 A2 · binds ALA762, LEU766, ALA844, MET845, TYR846, GLU847, LEU848, PHE941 and 3 more
3VHV · Mineralocorticoid receptor ligand-binding domain with non-steroidal antagonist · LD2 A2 · binds ALA762, LEU766, ALA844, MET845, TYR846, GLU847, LEU848, PHE941 and 3 more

Residues it binds most

LEU 2, ALA 2, TYR 2, GLU 2, MET 2, PHE 2, THR 2 (residue and the binding sites it lines).

Found with

LD1 · 6-[(7S)-7-phenyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-yl]-2H-1,4-benzoxazin-3(4H)-one
K · Potassium ion
EDO · 1,2-ethanediol

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