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Ligand · A1AB9

A1AB9 · 4-chloro-6-[(2-oxo-2,3-dihydro-1H-indol-5-yl)amino]pyrimidine-5-carbonitrile

A1AB9, 4-chloro-6-[(2-oxo-2,3-dihydro-1H-indol-5-yl)amino]pyrimidine-5-carbonitrile (C13 H8 Cl N5 O, 285.7 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (4 PDB entries). Every binding site with its residues within 4.5…

Component
A1AB9
Formula
C13 H8 Cl N5 O
Class
ligand
Structures
4
PDB entries
4

Binding sites

A1AB9 in 4 structures; the first of them:

  • 7GX0 · Crystal Structure of B-cell lymphoma 6 protein BTB domain in complex with ligand 7 at… · A1AB9 A201 · binds MET51, ALA52, CYS53, SER54, GLY55, TYR58, GLN113, MET114 and 1 more
  • 7GX1 · Crystal Structure of B-cell lymphoma 6 protein BTB domain in complex with ligand 7 at… · A1AB9 A201 · binds MET51, ALA52, CYS53, SER54, GLY55, TYR58, GLN113, MET114 and 1 more
  • 7GX8 · Crystal Structure of B-cell lymphoma 6 protein BTB domain in complex with ligand 7 at… · A1AB9 A201 · binds MET51, ALA52, CYS53, SER54, GLY55, TYR58, GLN113, MET114 and 1 more
  • 7GX9 · Crystal Structure of B-cell lymphoma 6 protein BTB domain in complex with ligand 7 at… · A1AB9 A201 · binds MET51, ALA52, CYS53, SER54, GLY55, TYR58, GLN113, MET114 and 1 more

Residues it binds most

MET 4, ALA 4, CYS 4, GLN 4, GLU 4, GLY 4, SER 4, TYR 4 (residue and the binding sites it lines).

Found with

  • CL · Chloride ion
  • DMS · Dimethyl sulfoxide

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