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Ligand · 9KB

9KB · 1-[(4-fluorophenyl)methyl]-4-(3-imidazol-1-ylpropyl) piperazin-2-one

9KB, 1-[(4-fluorophenyl)methyl]-4-(3-imidazol-1-ylpropyl) piperazin-2-one (C17 H21 F N4 O, 316.4 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
9KB
Formula
C17 H21 F N4 O
Class
ligand
Structures
2
PDB entries
1

Binding sites

9KB in 2 structures; the first of them:

  • 5O4L · Crystal structure of P450 CYP121 in complex with compound 6a. · 9KB A403 · binds THR77, VAL78, VAL82, ASN85, LEU164, ALA167, PHE168, VAL228 and 6 more
  • 5O4L · Crystal structure of P450 CYP121 in complex with compound 6A. · 9KB A403 · binds VAL78, ASN85, ALA167, PHE168, THR229, ALA233, SER237, PHE280 and 1 more

Residues it binds most

ALA 2, PHE 2, VAL 2, THR 2, ARG 2, ASN 2, SER 2, GLY 1, LEU 1 (residue and the binding sites it lines).

Found with

  • HEM · Protoporphyrin IX containing Fe
  • SO4 · Sulfate ion

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