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Ligand · BKS

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

BKS, 5-(4-chlorophenyl)-7-phenyl-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one (C18 H12 Cl N3 O, 321.8 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
BKS
Formula
C18 H12 Cl N3 O
Class
ligand
Structures
2
PDB entries
1

Binding sites

BKS in 2 structures; the first of them:

  • 4D4L · human PFKFB3 in complex with a pyrrolopyrimidone compound · BKS A1449 · binds ALA44, ARG45, GLY46, TYR49, ILE50, SER152, CYS154, VAL159 and 12 more
  • 4D4L · Human PFKFB3 in complex with a pyrrolopyrimidone compound · BKS A1449 · binds ALA44, ARG45, GLY46, TYR49, ILE50, SER152, CYS154, VAL159 and 12 more

Residues it binds most

VAL 2, ALA 2, GLY 2, ILE 2, TYR 2, ARG 2, ASN 2, CYS 2, GLU 2, LEU 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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