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Ligand · R86

R86 · 2-{(2R)-4-[2-(1H-imidazol-1-yl)-6-methylpyrimidin-4-yl]-1-isobutyrylpiperazin-2-yl}-N-[2-(4-methoxyphenyl)ethyl]acetamide

R86, 2-{(2R)-4-[2-(1H-imidazol-1-yl)-6-methylpyrimidin-4-yl]-1-isobutyrylpiperazin-2-yl}-N-[2-(4-methoxyphenyl)ethyl]acetamide (C27 H35 N7 O3, 505.6 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every…

Component
R86
Formula
C27 H35 N7 O3
Class
ligand
Structures
2
PDB entries
1

Binding sites

R86 in 2 structures; the first of them:

  • 2ORP · Murine inducible nitric oxide synthase oxygenase domain (delta 114)… · R86 A601 · binds ARG193, CYS194, GLN257, PRO344, ALA345, VAL346, PHE363, ASN364 and 6 more
  • 2ORP · Murine inducible nitric oxide synthase oxygenase domain (delta 114)… · R86 A601 · binds ARG193, CYS194, GLN257, PRO344, ALA345, VAL346, PHE363, ASN364 and 6 more

Residues it binds most

TYR 2, ALA 2, ARG 2, ASN 2, CYS 2, GLN 2, GLU 2, GLY 2, MET 2, PHE 2 (residue and the binding sites it lines).

Found with

  • HEM · Protoporphyrin IX containing Fe

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