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Ligand · VCK

VCK · (2~{R})-2-(4-ethylsulfonylphenyl)-~{N}-[4-[1,1,1,3,3,3-hexakis(fluoranyl)-2-oxidanyl-propan-2-yl]phenyl]-~{N}'-methyl-butanediamide

VCK, (2~{R})-2-(4-ethylsulfonylphenyl)-~{N}-[4-[1,1,1,3,3,3-hexakis(fluoranyl)-2-oxidanyl-propan-2-yl]phenyl]-~{N}'-methyl-butanediamide (C22 H22 F6 N2 O5 S, 540.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB…

Component
VCK
Formula
C22 H22 F6 N2 O5 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

VCK in 2 structures; the first of them:

  • 7OFI · Ligand complex of RORg LBD · VCK A601 · binds CYS285, GLN286, LEU287, LEU292, CYS320, HIS323, LEU324, ALA327 and 13 more
  • 7OFI · Ligand complex of rorg lbd · VCK A601 · binds CYS285, GLN286, LEU287, LEU292, CYS320, HIS323, LEU324, ALA327 and 13 more

Residues it binds most

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

Found with

  • NA · Sodium ion
  • DMS · Dimethyl sulfoxide

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