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Ligand · BKI

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

BKI, 5-(4-bromophenyl)-7-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
BKI
Formula
C18 H12 Br N3 O
Class
ligand
Structures
2
PDB entries
1

Binding sites

BKI in 2 structures; the first of them:

  • 4D4J · human PFKFB3 in complex with a pyrrolopyrimidone compound · BKI A1449 · binds ALA44, ARG45, GLY46, TYR49, ILE50, SER152, VAL159, ASN163 and 10 more
  • 4D4J · Human PFKFB3 in complex with a pyrrolopyrimidone compound · BKI A1449 · binds ALA44, ARG45, GLY46, TYR49, ILE50, SER152, VAL159, ASN163 and 10 more

Residues it binds most

VAL 2, ALA 2, GLY 2, ILE 2, ARG 2, ASN 2, GLU 2, LEU 2, PHE 2, SER 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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