Ligand · LD1

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

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 (C18 H13 N5 O2 S, 363.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its…

Component: LD1
Formula: C18 H13 N5 O2 S
Class: ligand
Structures: 2
PDB entries: 1

Binding sites

LD1 in 2 structures; the first of them:

3VHV · Mineralocorticoid receptor ligand-binding domain with non-steroidal antagonist · LD1 A1 · binds LEU766, LEU769, ASN770, LEU772, ALA773, GLN776, MET807, LEU810 and 13 more
3VHV · Mineralocorticoid receptor ligand-binding domain with non-steroidal antagonist · LD1 A1 · binds LEU766, LEU769, ASN770, LEU772, ALA773, GLN776, MET807, LEU810 and 13 more

Residues it binds most

LEU 2, MET 2, PHE 2, CYS 2, ALA 2, ARG 2, ASN 2, GLN 2, SER 2, THR 2 (residue and the binding sites it lines).

Found with

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

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