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Ligand · CQ3

CQ3 · N-[2-[[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]amino]phenyl]propanamide

CQ3, N-[2-[[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]amino]phenyl]propanamide (C18 H22 Cl N5 O2, 375.9 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…

Component
CQ3
Formula
C18 H22 Cl N5 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

CQ3 in 2 structures; the first of them:

  • 4ZZO · Human ERK2 in complex with an irreversible inhibitor · CQ3 A1357 · binds ILE31, GLY32, GLU33, GLY34, VAL39, ALA52, LYS54, GLN105 and 12 more
  • 4ZZO · Human ERK2 in complex with an irreversible inhibitor · CQ3 A1357 · binds ILE31, GLY32, GLU33, GLY34, VAL39, ALA52, LYS54, GLN105 and 12 more

Residues it binds most

ASP 2, GLU 2, GLY 2, LEU 2, LYS 2, ALA 2, ASN 2, CYS 2, GLN 2, ILE 2 (residue and the binding sites it lines).

Found with

  • SO4 · Sulfate ion

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