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Ligand · I5X

I5X · ~{N}-[(1~{S})-1-(1~{H}-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-3,6,6-trimethyl-4-oxidanylidene-5,7-dihydro-1~{H}-indole-2-carboxamide

I5X, ~{N}-[(1~{S})-1-(1~{H}-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-3,6,6-trimethyl-4-oxidanylidene-5,7-dihydro-1~{H}-indole-2-carboxamide (C23 H28 N4 O2 S, 424.6 g/mol), in the MolNFT structures on GenesisL1: bound in 1 record (1 PDB…

Component
I5X
Formula
C23 H28 N4 O2 S
Class
ligand
Structures
1
PDB entries
1

Binding sites

I5X in 1 structure; the first of them:

  • 7XUA · Structure of G9a in complex with compound 10a · I5X A1206 · binds TYR1067, ASP1083, SER1084, TYR1085, LEU1086, PHE1087, ASP1088, LEU1089 and 10 more

Residues it binds most

ASP 2, PHE 2, TYR 2, ARG 2, ILE 2, LEU 2, PRO 2, SER 2 (residue and the binding sites it lines).

Found with

  • SFG · Sinefungin
  • ZN · Zinc ion
  • EDO · 1,2-ethanediol
  • TRS · 2-amino-2-hydroxymethyl-propane-1,3-diol

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