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Ligand · V5E

V5E · 5-Bromo-4-N-[2-(1H-imidazol-5-yl)ethyl]-2-N-[3-(morpholin-4-ylmethyl)phenyl]pyrimidine-2,4-diamine

V5E, 5-Bromo-4-N-[2-(1H-imidazol-5-yl)ethyl]-2-N-[3-(morpholin-4-ylmethyl)phenyl]pyrimidine-2,4-diamine (C20 H24 Br N7 O, 458.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its…

Component
V5E
Formula
C20 H24 Br N7 O
Class
ligand
Structures
2
PDB entries
1

Binding sites

V5E in 2 structures; the first of them:

  • 7P1L · The MARK3 Kinase Domain Bound To AA-CS-1-008 · V5E A401 · binds LYS60, ILE62, GLY63, VAL70, ALA83, VAL116, MET132, GLU133 and 8 more
  • 7P1L · The MARK3 kinase domain bound to aa-cs-1-008 · V5E A401 · binds LYS60, ILE62, GLY63, VAL70, ALA83, MET132, GLU133, TYR134 and 7 more

Residues it binds most

GLU 4, VAL 4, ALA 4, GLY 4, ILE 4, LEU 4, MET 4, TYR 4, SER 3, LYS 2 (residue and the binding sites it lines).

Found with

  • EDO · 1,2-ethanediol

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