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Ligand · A1ACB

A1ACB · 5-{[5-chloro-2-(methylsulfanyl)pyrimidin-4-yl]amino}-1,3-dihydro-2H-indol-2-one

A1ACB, 5-{[5-chloro-2-(methylsulfanyl)pyrimidin-4-yl]amino}-1,3-dihydro-2H-indol-2-one (C13 H11 Cl N4 O S, 306.8 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (2 PDB entries). Every binding site with its residues within…

Component
A1ACB
Formula
C13 H11 Cl N4 O S
Class
ligand
Structures
2
PDB entries
2

Binding sites

A1ACB in 2 structures; the first of them:

  • 7GXA · Crystal Structure of B-cell lymphoma 6 protein BTB domain in complex with ligand 8 at… · A1ACB A201 · binds MET51, ALA52, CYS53, SER54, GLY55, TYR58, GLN113, MET114 and 1 more
  • 7GXG · Crystal Structure of B-cell lymphoma 6 protein BTB domain in complex with ligand 8 at… · A1ACB A201 · binds MET51, ALA52, CYS53, SER54, GLY55, TYR58, GLN113, MET114 and 1 more

Residues it binds most

MET 2, ALA 2, CYS 2, GLN 2, GLU 2, GLY 2, SER 2, TYR 2 (residue and the binding sites it lines).

Found with

  • CL · Chloride ion
  • DMS · Dimethyl sulfoxide

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