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Ligand · EK7

EK7 · 9-(dimethylamino)-2-[(3-hydroxyphenyl)amino]-5,6-dihydrothieno[3,4-h]quinazoline-7-carbonitrile

EK7, 9-(dimethylamino)-2-[(3-hydroxyphenyl)amino]-5,6-dihydrothieno[3,4-h]quinazoline-7-carbonitrile (C19 H17 N5 O S, 363.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its…

Component
EK7
Formula
C19 H17 N5 O S
Class
ligand
Structures
2
PDB entries
1

Binding sites

EK7 in 2 structures; the first of them:

  • 4FV4 · Crystal Structure of the ERK2 complexed with EK7 · EK7 A401 · binds ILE29, GLY30, VAL37, ALA50, LYS52, GLN103, ASP104, LEU105 and 9 more
  • 4FV4 · Crystal structure of the ERK2 complexed with EK7 · EK7 A401 · binds ILE29, GLY30, VAL37, ALA50, LYS52, GLN103, ASP104, LEU105 and 9 more

Residues it binds most

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

Found with

  • SO4 · Sulfate ion
  • GOL · Glycerol

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