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Ligand · BKV

BKV · 7-(4-bromophenyl)-5-phenyl-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one

BKV, 7-(4-bromophenyl)-5-phenyl-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one (C18 H12 Br N3 O, 366.2 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…

Component
BKV
Formula
C18 H12 Br N3 O
Class
ligand
Structures
2
PDB entries
1

Binding sites

BKV in 2 structures; the first of them:

  • 4D4M · human PFKFB3 in complex with a pyrrolopyrimidone compound · BKV A1449 · binds ALA44, ARG45, GLY46, TYR49, ILE50, SER152, CYS154, VAL159 and 11 more
  • 4D4M · Human PFKFB3 in complex with a pyrrolopyrimidone compound · BKV A1449 · binds ALA44, ARG45, GLY46, TYR49, ILE50, SER152, CYS154, VAL159 and 11 more

Residues it binds most

VAL 2, ALA 2, GLY 2, ILE 2, ARG 2, ASN 2, CYS 2, GLU 2, LEU 2, PHE 2 (residue and the binding sites it lines).

Found with

  • F6P · 6-O-phosphono-beta-D-fructofuranose
  • PHS · Phosphonic acid
  • PO4 · Phosphate ion

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