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Ligand · JC5

JC5 · [3-(aminomethyl)-5-[3-(1,3-dihydroisoindol-2-yl) propoxy]-4-methoxy-phenyl]methanamine

JC5, [3-(aminomethyl)-5-[3-(1,3-dihydroisoindol-2-yl) propoxy]-4-methoxy-phenyl]methanamine (C20 H27 N3 O2, 341.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within…

Component
JC5
Formula
C20 H27 N3 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

JC5 in 2 structures; the first of them:

  • 6QPL · Crystal structure of Spindlin1 in complex with the inhibitor MS31 · JC5 B305 · binds ASP95, HIS139, PHE141, TRP151, TYR170, TYR177, TYR179, ASP184
  • 6QPL · Crystal structure of SPINDLIN1 in complex with the inhibitor MS31 · JC5 B305 · binds ASP95, HIS139, PHE141, TRP151, TYR170, TYR177, TYR179, ASP184

Residues it binds most

TYR 2, ASP 2, HIS 2, PHE 2, TRP 2 (residue and the binding sites it lines).

Found with

  • PO4 · Phosphate ion
  • DMS · Dimethyl sulfoxide
  • GOL · Glycerol
  • MPD · (4S)-2-methyl-2,4-pentanediol
  • GLY · Glycine

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