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Ligand · 3RJ

3RJ · N~2~-(1H-benzimidazol-6-yl)-N~4~-(5-cyclobutyl-1H-pyrazol-3-yl)quinazoline-2,4-diamine

3RJ, N~2~-(1H-benzimidazol-6-yl)-N~4~-(5-cyclobutyl-1H-pyrazol-3-yl)quinazoline-2,4-diamine (C22 H20 N8, 396.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within 4.5…

Component
3RJ
Formula
C22 H20 N8
Class
ligand
Structures
2
PDB entries
1

Binding sites

3RJ in 2 structures; the first of them:

  • 6U5L · Structure of human ULK4 in complex with an inhibitor · 3RJ A301 · binds ILE10, GLY11, ARG12, GLY13, VAL18, ALA31, LEU33, TRP46 and 9 more
  • 6U5L · Structure of human ULK4 in complex with an inhibitor · 3RJ A301 · binds ILE10, GLY11, ARG12, VAL18, ALA31, LEU33, TRP46, VAL75 and 8 more

Residues it binds most

LEU 2, GLY 2, VAL 2, ALA 2, ARG 2, ASN 2, CYS 2, GLU 2, ILE 2, SER 2 (residue and the binding sites it lines).

Found with

  • GOL · Glycerol
  • PEG · Di(hydroxyethyl)ether

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