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Ligand · S58

S58 · 1-phenylsulfonamide-3-trifluoromethyl-5-parabromophenylpyrazole

S58, 1-phenylsulfonamide-3-trifluoromethyl-5-parabromophenylpyrazole (C16 H11 Br F3 N3 O2 S, 446.2 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within 4.5 Å, the…

Component
S58
Formula
C16 H11 Br F3 N3 O2 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

S58 in 2 structures; the first of them:

  • 6COX · Cyclooxygenase-2 (prostaglandin synthase-2) complexed with a selective inhibitor, sc-558… · S58 A701 · binds HIS90, VAL116, ARG120, GLN192, VAL349, LEU352, SER353, GLY354 and 16 more
  • 6COX · Cyclooxygenase-2 (prostaglandin synthase-2) complexed with a selective inhibitor, sc-558… · S58 A701 · binds HIS90, VAL116, ARG120, GLN192, VAL349, LEU352, SER353, TYR355 and 13 more

Residues it binds most

LEU 4, VAL 4, ALA 4, ARG 4, SER 4, TYR 4, GLY 4, PHE 4, GLN 4, HIS 4 (residue and the binding sites it lines).

Found with

  • HEM · Protoporphyrin IX containing Fe
  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose

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