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Ligand · 4ID

4ID · 2-({5-[(2,4-dimethylphenyl)sulfonyl]-6-oxo-1,6-dihydropyrimidin-2-yl}sulfanyl)-N-[2-(trifluoromethyl)phenyl]acetamide

4ID, 2-({5-[(2,4-dimethylphenyl)sulfonyl]-6-oxo-1,6-dihydropyrimidin-2-yl}sulfanyl)-N-[2-(trifluoromethyl)phenyl]acetamide (C21 H18 F3 N3 O4 S2, 497.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every…

Component
4ID
Formula
C21 H18 F3 N3 O4 S2
Class
ligand
Structures
2
PDB entries
1

Binding sites

4ID in 2 structures; the first of them:

  • 4IN4 · Crystal structure of cpd 15 bound to Keap1 Kelch domain · 4ID A705 · binds TYR334, SER363, GLY364, ARG380, ASN382, ARG415, GLY462, GLY509 and 8 more
  • 4IN4 · Crystal structure of cpd 15 bound to KEAP1 kelch domain · 4ID A705 · binds TYR334, SER363, GLY364, ARG380, ASN382, ARG415, GLY462, GLY509 and 8 more

Residues it binds most

SER 12, GLY 12, TYR 12, ARG 12, PHE 12, ASN 6, ALA 6, GLN 6, ILE 6 (residue and the binding sites it lines).

Found with

  • PO4 · Phosphate ion

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