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Ligand · 6CI

6CI · 5-[3-(2-methoxy-5-oxidanyl-phenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethyl-pyridine-3-carboxamide

6CI, 5-[3-(2-methoxy-5-oxidanyl-phenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethyl-pyridine-3-carboxamide (C22 H20 N4 O3, 388.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (2 PDB entries). Every binding site with its…

Component
6CI
Formula
C22 H20 N4 O3
Class
ligand
Structures
2
PDB entries
2

Binding sites

6CI in 2 structures; the first of them:

  • 8I7S · The crystal structure of human abl1 kinase domain in complex with ABL1-B1 · 6CI A601 · binds LEU248, VAL256, ALA269, VAL270, LYS271, VAL299, ILE313, THR315 and 7 more
  • 8I7Z · The crystal structure of human abl1 kinase domain in complex with ABL1-B5 · 6CI A601 · binds LEU248, VAL256, ALA269, VAL270, LYS271, VAL299, ILE313, THR315 and 8 more

Residues it binds most

VAL 4, LEU 4, PHE 4, ALA 4, ASN 4, GLY 4, THR 4, GLU 4, LYS 4, MET 4 (residue and the binding sites it lines).

Found with

  • BAL · Beta-alanine

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