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Ligand · 4LC

4LC · 3-(6-{[(2S,3S)-3-(hydroxymethyl)-2-phenylmorpholin-4-yl]carbonyl}-1-methyl-1H-benzimidazol-2-yl)-1H-indole-6-carbonitrile

4LC, 3-(6-{[(2S,3S)-3-(hydroxymethyl)-2-phenylmorpholin-4-yl]carbonyl}-1-methyl-1H-benzimidazol-2-yl)-1H-indole-6-carbonitrile (C29 H25 N5 O3, 491.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every…

Component
4LC
Formula
C29 H25 N5 O3
Class
ligand
Structures
2
PDB entries
1

Binding sites

4LC in 2 structures; the first of them:

  • 4Z2B · The structure of human PDE12 residues 161-609 in complex with GSK3036342A · 4LC A705 · binds TYR307, THR310, PHE312, SER313, LEU317, TYR318, GLU351, HIS456 and 11 more
  • 4Z2B · The structure of human PDE12 residues 161-609 in complex with GSK3036342A · 4LC A705 · binds TYR307, THR310, PHE312, SER313, LEU317, TYR318, GLU351, HIS456 and 11 more

Residues it binds most

THR 2, HIS 2, LEU 2, PHE 2, SER 2, TYR 2, ARG 2, ASN 2, ASP 2, GLU 2 (residue and the binding sites it lines).

Found with

  • MG · Magnesium ion
  • SO4 · Sulfate ion
  • EDO · 1,2-ethanediol
  • TRS · 2-amino-2-hydroxymethyl-propane-1,3-diol

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