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Ligand · LI8

LI8 · N-(3-{[5-bromo-2-({3-[(pyrrolidin-1-ylcarbonyl)amino]phenyl}amino)pyrimidin-4-yl]amino}propyl)-2,2-dimethylmalonamide

LI8, N-(3-{[5-bromo-2-({3-[(pyrrolidin-1-ylcarbonyl)amino]phenyl}amino)pyrimidin-4-yl]amino}propyl)-2,2-dimethylmalonamide (C23 H31 Br N8 O3, 547.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every…

Component
LI8
Formula
C23 H31 Br N8 O3
Class
ligand
Structures
2
PDB entries
1

Binding sites

LI8 in 2 structures; the first of them:

  • 1Z5M · Crystal Structure Of N1-[3-[[5-bromo-2-[[3-[(1-pyrrolidinylcarbonyl)amino]phenyl]amino]-4… · LI8 A501 · binds LEU88, GLY89, GLU90, GLY91, SER94, VAL96, ALA109, LYS111 and 13 more
  • 1Z5M · Crystal structure of N1-[3-[[5-bromo-2-[[3-[(1-pyrrolidinylcarbonyl)… · LI8 A501 · binds LEU88, GLY89, GLU90, GLY91, SER94, VAL96, ALA109, LYS111 and 13 more

Residues it binds most

GLU 2, GLY 2, LEU 2, LYS 2, ALA 2, SER 2, VAL 2, ASP 2, THR 2, TYR 2 (residue and the binding sites it lines).

Found with

  • CL · Chloride ion
  • SO4 · Sulfate ion
  • GOL · Glycerol

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