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Ligand · SX7

SX7 · 2-amino-5-[3-(1-ethyl-1H-pyrazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzamide

SX7, 2-amino-5-[3-(1-ethyl-1H-pyrazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzamide (C21 H22 N6 O, 374.4 g/mol), in the MolNFT structures on GenesisL1: bound in 6 records (3 PDB entries). Every binding site with its residues…

Component
SX7
Formula
C21 H22 N6 O
Class
ligand
Structures
6
PDB entries
3

Binding sites

SX7 in 6 structures; the first of them:

  • 3DK3 · Crystal structure of mutant ABL kinase domain in complex with small molecule fragment · SX7 A1 · binds LEU248, GLY249, TYR253, VAL256, GLU258, ALA269, VAL299, THR315 and 11 more
  • 3DK6 · Crystal structure of mutant ABL kinase domain in complex with small molecule fragment · SX7 A1 · binds LEU248, PHE253, VAL256, ALA269, LYS271, VAL299, THR315, GLU316 and 7 more
  • 3DK7 · Crystal structure of mutant ABL kinase domain in complex with small molecule fragment · SX7 A1 · binds LEU248, GLY249, TYR253, VAL256, GLU258, ALA269, MET290, VAL299 and 12 more
  • 3DK3 · Crystal structure of mutant abl kinase domain in complex with small molecule fragment · SX7 A1 · binds LEU248, GLY249, TYR253, VAL256, GLU258, ALA269, VAL299, THR315 and 11 more
  • 3DK6 · Crystal structure of mutant abl kinase domain in complex with small molecule fragment · SX7 A1 · binds LEU248, PHE253, VAL256, ALA269, LYS271, VAL299, THR315, GLU316 and 7 more
  • 3DK7 · Crystal structure of mutant abl kinase domain in complex with small molecule fragment · SX7 A1 · binds LEU248, GLY249, TYR253, VAL256, GLU258, ALA269, MET290, VAL299 and 12 more

Residues it binds most

PHE 12, VAL 12, LEU 12, ALA 12, GLY 12, GLU 12, MET 12, THR 12, TYR 8, ASN 12 (residue and the binding sites it lines).

Found with

  • SO4 · Sulfate ion

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