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Ligand · 8BQ

8BQ · 7-[(3S,4R)-4-(3-fluorophenyl)carbonylpyrrolidin-3-yl]-3H-quinazolin-4-one

8BQ, 7-[(3S,4R)-4-(3-fluorophenyl)carbonylpyrrolidin-3-yl]-3H-quinazolin-4-one (C19 H16 F N3 O2, 337.4 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…

Component
8BQ
Formula
C19 H16 F N3 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

8BQ in 2 structures; the first of them:

  • 4UJB · Protein Kinase A in complex with an Inhibitor · 8BQ A1351 · binds LEU49, GLY50, THR51, GLY52, GLY55, ARG56, VAL57, ALA70 and 14 more
  • 4UJB · Protein kinase a in complex with an inhibitor · 8BQ A1351 · binds LEU49, GLY50, THR51, GLY52, GLY55, ARG56, VAL57, ALA70 and 14 more

Residues it binds most

GLU 2, GLY 2, LEU 2, VAL 2, THR 2, ALA 2, ARG 2, ASN 2, ASP 2, LYS 2 (residue and the binding sites it lines).

Found with

  • MPD · (4S)-2-methyl-2,4-pentanediol

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