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Ligand · V6B

V6B · 2-[[2,5-bis(bromanyl)-4-methyl-phenyl]methylamino]-4-(cyclopentylamino)-N-[3-(2-oxidanylidene-1,3-oxazolidin-3-yl)propyl]pyrimidine-5-carboxamide

V6B, 2-[[2,5-bis(bromanyl)-4-methyl-phenyl]methylamino]-4-(cyclopentylamino)-N-[3-(2-oxidanylidene-1,3-oxazolidin-3-yl)propyl]pyrimidine-5-carboxamide (C24 H30 Br2 N6 O3, 610.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2…

Component
V6B
Formula
C24 H30 Br2 N6 O3
Class
ligand
Structures
2
PDB entries
1

Binding sites

V6B in 2 structures; the first of them:

  • 7OAK · Crystal structure of pseudokinase CASK in complex with compound 26 · V6B A401 · binds ILE18, GLY19, VAL26, ALA39, LYS41, VAL75, PHE91, GLU92 and 15 more
  • 7OAK · Crystal structure of pseudokinase cask in complex with compound 26 · V6B 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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