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Ligand · C1W

C1W · 2-chloranyl-4-[[5-chloranyl-4-[(4-fluorophenyl) amino]pyrimidin-2-yl]amino]benzoic acid

C1W, 2-chloranyl-4-[[5-chloranyl-4-[(4-fluorophenyl) amino]pyrimidin-2-yl]amino]benzoic acid (C17 H11 Cl2 F N4 O2, 393.2 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues…

Component
C1W
Formula
C17 H11 Cl2 F N4 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

C1W in 2 structures; the first of them:

  • 6EW7 · Crystal structure of the BCL6 BTB domain in complex with anilinopyrimidine ligand · C1W A202 · binds MET51, ALA52, CYS53, SER54, GLY55, TYR58, GLN113, ASN21 and 2 more
  • 6EW7 · Crystal structure of the BCL6 btb domain in complex with anilinopyrimidine ligand · C1W A202 · binds MET51, ALA52, SER54, GLY55, TYR58, GLN113, ASN21, ARG24 and 1 more

Residues it binds most

ALA 4, ARG 4, ASN 4, GLN 4, GLY 4, LEU 4, MET 4, SER 4, TYR 4, CYS 3 (residue and the binding sites it lines).

Found with

  • CL · Chloride ion

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