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Ligand · 3YR

3YR · 2-(2,6-difluorophenyl)-N-{4-[(3S)-pyrrolidin-3-yloxy]pyridin-3-yl}-1,3-thiazole-4-carboxamide

3YR, 2-(2,6-difluorophenyl)-N-{4-[(3S)-pyrrolidin-3-yloxy]pyridin-3-yl}-1,3-thiazole-4-carboxamide (C19 H16 F2 N4 O2 S, 402.4 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries). Every binding site with its…

Component
3YR
Formula
C19 H16 F2 N4 O2 S
Class
ligand
Structures
4
PDB entries
2

Binding sites

3YR in 4 structures; the first of them:

  • 4X7Q · PIM2 kinase in complex with Compound 1s · 3YR B401 · binds LEU38, PHE43, VAL46, ALA59, LYS61, GLU83, ILE100, LEU116 and 10 more
  • 4XHK · PIM1 kinase in complex with Compound 1s · 3YR B401 · binds LEU44, GLY45, PHE49, VAL52, ALA65, LYS67, ILE104, LEU120 and 7 more
  • 4X7Q · PIM2 kinase in complex with compound 1S · 3YR B401 · binds LEU38, PHE43, VAL46, ALA59, LYS61, GLU83, ILE100, LEU116 and 10 more
  • 4XHK · PIM1 kinase in complex with compound 1S · 3YR B401 · binds LEU44, GLY45, PHE49, VAL52, ALA65, LYS67, ILE104, LEU120 and 7 more

Residues it binds most

LEU 6, GLU 6, ILE 6, ALA 6, ASP 6, VAL 6, ARG 6, LYS 6, PHE 6, PRO 6 (residue and the binding sites it lines).

Found with

  • PO4 · Phosphate ion

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