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Ligand · X0R

X0R · (R)-3-(4-bromobenzylthio)-2-(3-(3-((2,4-difluorophenyl)ethynyl)benzoyl)-3-propylureido)propanoic acid

X0R, (R)-3-(4-bromobenzylthio)-2-(3-(3-((2,4-difluorophenyl)ethynyl)benzoyl)-3-propylureido)propanoic acid (C29 H25 Br F2 N2 O4 S, 615.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site…

Component
X0R
Formula
C29 H25 Br F2 N2 O4 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

X0R in 2 structures; the first of them:

  • 4C5D · Crystal structure of Bcl-xL in complex with benzoylurea compound (42) · X0R A2000 · binds PHE97, TYR101, ALA104, LEU108, GLN111, LEU112, PHE123, VAL126 and 12 more
  • 4C5D · Crystal structure of BCL-xl in complex with benzoylurea compound (42) · X0R A2000 · binds PHE97, TYR101, ALA104, LEU108, GLN111, LEU112, PHE123, VAL126 and 12 more

Residues it binds most

LEU 4, PHE 4, ALA 4, GLY 4, VAL 4, ARG 4, ILE 4, GLN 4, GLU 4, MET 4 (residue and the binding sites it lines).

Found with

  • SO4 · Sulfate ion
  • EDO · 1,2-ethanediol

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