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Ligand · I6S

I6S · 3,6,6-trimethyl-4-oxidanylidene-~{N}-[(2~{S})-1-oxidanylidene-1-phenylazanyl-hexan-2-yl]-5,7-dihydro-1~{H}-indole-2-carboxamide

I6S, 3,6,6-trimethyl-4-oxidanylidene-~{N}-[(2~{S})-1-oxidanylidene-1-phenylazanyl-hexan-2-yl]-5,7-dihydro-1~{H}-indole-2-carboxamide (C24 H31 N3 O3, 409.5 g/mol), in the MolNFT structures on GenesisL1: bound in 1 record (1 PDB entry).…

Component
I6S
Formula
C24 H31 N3 O3
Class
ligand
Structures
1
PDB entries
1

Binding sites

I6S in 1 structure; the first of them:

  • 7XUC · Structure of G9a in complex with compound 11a · I6S A1206 · binds TYR1067, ASP1083, SER1084, TYR1085, LEU1086, PHE1087, ASP1088, LEU1089 and 11 more

Residues it binds most

ASP 2, PHE 2, TYR 2, ARG 2, ILE 2, LEU 2, PRO 2, SER 2, LYS 1 (residue and the binding sites it lines).

Found with

  • SFG · Sinefungin
  • ZN · Zinc ion
  • CL · Chloride ion
  • EDO · 1,2-ethanediol

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