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Ligand · BQ2

BQ2 · 1-(3,4-dihydro-1~{H}-isoquinolin-2-yl)-2-oxidanyl-ethanone

BQ2, 1-(3,4-dihydro-1~{H}-isoquinolin-2-yl)-2-oxidanyl-ethanone (C11 H13 N O2, 191.2 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within 4.5 Å, the residues it binds…

Component
BQ2
Formula
C11 H13 N O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

BQ2 in 2 structures; the first of them:

  • 6EPN · Ras guanine exchange factor SOS1 (Rem-cdc25) in complex with KRAS(G12C) and fragment… · BQ2 S1101 · binds MET878, ASN879, TYR884, ASP887, PHE890, LYS898, LEU901, GLU902 and 1 more
  • 6EPN · RAS guanine exchange factor SOS1 (rem-CDC25) in complex with KRAS(G12C) and fragment… · BQ2 S1101 · binds MET878, ASN879, TYR884, ASP887, PHE890, LEU901, HIS905

Residues it binds most

ASN 2, ASP 2, HIS 2, LEU 2, MET 2, PHE 2, TYR 2, GLU 1, LYS 1 (residue and the binding sites it lines).

Found with

  • DMS · Dimethyl sulfoxide
  • GOL · Glycerol

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