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Ligand · 8Y8

8Y8 · ~{N}-[4-(5-cyano-2-methoxy-phenyl)thiophen-2-yl]-2-(4-ethylsulfonylphenyl)ethanamide

8Y8, ~{N}-[4-(5-cyano-2-methoxy-phenyl)thiophen-2-yl]-2-(4-ethylsulfonylphenyl)ethanamide (C22 H20 N2 O4 S2, 440.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within…

Component
8Y8
Formula
C22 H20 N2 O4 S2
Class
ligand
Structures
2
PDB entries
1

Binding sites

8Y8 in 2 structures; the first of them:

  • 5NI7 · Ligand complex of RORg LBD · 8Y8 A601 · binds CYS285, GLN286, LEU287, LEU292, CYS320, HIS323, ALA327, VAL361 and 14 more
  • 5NI7 · Ligand complex of rorg lbd · 8Y8 A601 · binds CYS285, GLN286, LEU287, LEU292, HIS323, ARG364, MET365, ARG367 and 10 more

Residues it binds most

PHE 2, LEU 2, ARG 2, ILE 2, ALA 2, CYS 2, VAL 2, GLN 2, HIS 2, MET 2 (residue and the binding sites it lines).

Found with

  • NA · Sodium ion
  • DMS · Dimethyl sulfoxide

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