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Ligand · 0U9

0U9 · S-bicalutamide

0U9, S-bicalutamide (C18 H14 F4 N2 O4 S, 430.4 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 residues it binds most and the ligands found with it.

Component
0U9
Formula
C18 H14 F4 N2 O4 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

0U9 in 2 structures; the first of them:

  • 4FIA · Crystal Structure of Human CYP46A1 P450 with bicalutamide Bound · 0U9 A601 · binds PHE80, MET108, TYR109, ALA111, LEU112, PHE121, VAL126, ILE222 and 12 more
  • 4FIA · Crystal structure of human CYP46A1 P450 with bicalutamide bound · 0U9 A601 · binds PHE80, MET108, TYR109, ALA111, LEU112, PHE121, VAL126, ILE222 and 12 more

Residues it binds most

ALA 2, PHE 2, ILE 2, THR 2, ARG 2, GLN 2, GLU 2, GLY 2, LEU 2, MET 2 (residue and the binding sites it lines).

Found with

  • 198 · R-bicalutamide
  • HEM · Protoporphyrin IX containing Fe
  • GOL · Glycerol

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