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Ligand · R4I

R4I · (8~{S})-6-[2-(2,3-dihydroindol-1-yl)-2-oxidanylidene-ethyl]-4-(4-methylphenyl)-2-oxidanylidene-8-propyl-1,5,7,8-tetrahydro-1,6-naphthyridine-3-carbonitrile

R4I, (8~{S})-6-[2-(2,3-dihydroindol-1-yl)-2-oxidanylidene-ethyl]-4-(4-methylphenyl)-2-oxidanylidene-8-propyl-1,5,7,8-tetrahydro-1,6-naphthyridine-3-carbonitrile (C29 H30 N4 O2, 466.6 g/mol), in the MolNFT structures on GenesisL1: bound in…

Component
R4I
Formula
C29 H30 N4 O2
Class
ligand
Structures
1
PDB entries
1

Binding sites

R4I in 1 structure; the first of them:

  • 8BPY · X-RAY STRUCTURE OF PDE9A IN COMPLEX WITH Inhibitor 13A · R4I A2004 · binds PHE251, MET365, ILE403, ASN405, LEU420, LEU421, TYR424, PHE441 and 4 more

Residues it binds most

PHE 1, LEU 1, ALA 1, ASN 1, GLN 1, ILE 1, MET 1, TYR 1, VAL 1 (residue and the binding sites it lines).

Found with

  • MG · Magnesium ion
  • NA · Sodium ion
  • ZN · Zinc ion

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