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Ligand · V62

V62 · 2-[[2,5-bis(bromanyl)-4-methyl-phenyl]methylamino]-4-(cyclohexylamino)-N-[3-(2-oxidanylidene-1,3-oxazolidin-3-yl)propyl]pyrimidine-5-carboxamide

V62, 2-[[2,5-bis(bromanyl)-4-methyl-phenyl]methylamino]-4-(cyclohexylamino)-N-[3-(2-oxidanylidene-1,3-oxazolidin-3-yl)propyl]pyrimidine-5-carboxamide (C25 H32 Br2 N6 O3, 624.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2…

Component
V62
Formula
C25 H32 Br2 N6 O3
Class
ligand
Structures
2
PDB entries
1

Binding sites

V62 in 2 structures; the first of them:

  • 7OAL · Crystal structure of pseudokinase CASK in complex with compound 25 · V62 A401 · binds ILE18, GLY19, VAL26, ALA39, LYS41, VAL75, PHE91, GLU92 and 15 more
  • 7OAL · Crystal structure of pseudokinase cask in complex with compound 25 · V62 A401 · binds ILE18, GLY19, VAL26, ALA39, VAL75, PHE91, GLU92, PHE93 and 13 more

Residues it binds most

GLY 8, LYS 8, ALA 8, GLU 8, PHE 8, VAL 8, LEU 8, ASP 8, CYS 8, HIS 8 (residue and the binding sites it lines).

Found with

  • EDO · 1,2-ethanediol

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