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Ligand · VCH

VCH · (1~{R})-2-ethanoyl-~{N}-[4-[1,1,1,3,3,3-hexakis(fluoranyl)-2-oxidanyl-propan-2-yl]phenyl]-5-methylsulfonyl-1,3-dihydroisoindole-1-carboxamide

VCH, (1~{R})-2-ethanoyl-~{N}-[4-[1,1,1,3,3,3-hexakis(fluoranyl)-2-oxidanyl-propan-2-yl]phenyl]-5-methylsulfonyl-1,3-dihydroisoindole-1-carboxamide (C21 H18 F6 N2 O5 S, 524.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records…

Component
VCH
Formula
C21 H18 F6 N2 O5 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

VCH in 2 structures; the first of them:

  • 7OFK · Ligand complex of RORg LBD · VCH A601 · binds CYS285, GLN286, LEU287, LEU292, CYS320, HIS323, LEU324, ARG364 and 11 more
  • 7OFK · Ligand complex of rorg lbd · VCH A601 · binds CYS285, GLN286, LEU287, LEU292, CYS320, HIS323, LEU324, ARG364 and 11 more

Residues it binds most

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

Found with

  • NA · Sodium ion
  • DMS · Dimethyl sulfoxide

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