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Ligand · A1ACW

A1ACW · 5-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-1,3-dihydro-2H-indol-2-one

A1ACW, 5-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-1,3-dihydro-2H-indol-2-one (C12 H8 Cl F N4 O, 278.7 g/mol), in the MolNFT structures on GenesisL1: bound in 3 records (3 PDB entries). Every binding site with its residues within 4.5 Å, the…

Component
A1ACW
Formula
C12 H8 Cl F N4 O
Class
ligand
Structures
3
PDB entries
3

Binding sites

A1ACW in 3 structures; the first of them:

  • 7GW3 · Crystal Structure of B-cell lymphoma 6 protein BTB domain in complex with ligand 5 at… · A1ACW A201 · binds MET51, ALA52, CYS53, SER54, GLY55, TYR58, GLN113, MET114 and 1 more
  • 7GW4 · Crystal Structure of B-cell lymphoma 6 protein BTB domain in complex with ligand 5 at… · A1ACW A201 · binds MET51, ALA52, CYS53, SER54, GLY55, TYR58, GLN113, MET114 and 1 more
  • 7GW8 · Crystal Structure of B-cell lymphoma 6 protein BTB domain in complex with ligand 5 at… · A1ACW A201 · binds MET51, ALA52, CYS53, SER54, GLY55, TYR58, GLN113, MET114 and 1 more

Residues it binds most

MET 3, ALA 3, CYS 3, GLN 3, GLU 3, GLY 3, SER 3, TYR 3 (residue and the binding sites it lines).

Found with

  • CL · Chloride ion
  • DMS · Dimethyl sulfoxide

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