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Ligand · 3QQ

3QQ · N-(4-fluorobenzyl)-N-(2-methylpropyl)-6-{[1-(methylsulfonyl)piperidin-4-yl]amino}pyridine-3-sulfonamide

3QQ, N-(4-fluorobenzyl)-N-(2-methylpropyl)-6-{[1-(methylsulfonyl)piperidin-4-yl]amino}pyridine-3-sulfonamide (C22 H31 F N4 O4 S2, 498.6 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site…

Component
3QQ
Formula
C22 H31 F N4 O4 S2
Class
ligand
Structures
2
PDB entries
1

Binding sites

3QQ in 2 structures; the first of them:

  • 4WLB · Crystal structure of RORc in complex with a partial inverse agonist compound · 3QQ A601 · binds CYS285, GLN286, LEU287, LEU292, TRP317, CYS320, HIS323, LEU324 and 16 more
  • 4WLB · Crystal structure of rorc in complex with a partial inverse agonist compound · 3QQ A601 · binds CYS285, GLN286, LEU287, LEU292, TRP317, CYS320, HIS323, LEU324 and 16 more

Residues it binds most

LEU 4, PHE 4, CYS 4, ARG 4, HIS 4, ILE 4, MET 4, ALA 4, GLN 4, TRP 4 (residue and the binding sites it lines).

Found with

  • TLA · L(+)-tartaric acid

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