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Ligand · 3UI

3UI · N-[(5-chloranyl-2-ethylsulfonyl-phenyl)methyl]-3-piperazin-1-yl-5-(trifluoromethyloxy)benzamide

3UI, N-[(5-chloranyl-2-ethylsulfonyl-phenyl)methyl]-3-piperazin-1-yl-5-(trifluoromethyloxy)benzamide (C21 H23 Cl F3 N3 O4 S, 505.9 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its…

Component
3UI
Formula
C21 H23 Cl F3 N3 O4 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

3UI in 2 structures; the first of them:

  • 7FEH · Crystal structure of human DDR1 in complex with CH5541127 · 3UI A1001 · binds VAL624, ALA653, LYS655, GLU672, ILE675, MET676, LEU679, ILE684 and 13 more
  • 7FEH · Crystal structure of human DDR1 in complex with CH5541127 · 3UI A1001 · binds VAL624, LYS655, GLU672, ILE675, MET676, LEU679, ILE684, ILE685 and 11 more

Residues it binds most

ILE 2, LEU 2, MET 2, PHE 2, ALA 2, ASP 2, GLU 2, HIS 2, LYS 2, THR 2 (residue and the binding sites it lines).

Found with

  • NO3 · Nitrate ion

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