GL1X · GenesisL1 explorer

Ligand · YED

YED · (3s,6s,9s,15ar)-9-[(2S)-butan-2-yl]-3-(6,6-dihydroxyoctyl)-6-[(1-methoxy-1H-indol-3-yl) methyl]octahydro-2H-pyrido[1,2-A][1,4,7, 10]tetraazacyclododecine-1,4,7,10(3H,12H)-tetrone

YED, (3s,6s,9s,15ar)-9-[(2S)-butan-2-yl]-3-(6,6-dihydroxyoctyl)-6-[(1-methoxy-1H-indol-3-yl) methyl]octahydro-2H-pyrido[1,2-A][1,4,7, 10]tetraazacyclododecine-1,4,7,10(3H,12H)-tetrone (C34 H51 N5 O7, 641.8 g/mol), in the MolNFT structures…

Component
YED
Formula
C34 H51 N5 O7
Class
ligand
Structures
2
PDB entries
1

Binding sites

YED in 2 structures; the first of them:

  • 7LTG · Structure of human HDAC2 in complex with apicidin · YED A407 · binds GLN27, GLY28, HIS29, PRO30, MET31, GLU99, ASP100, LEU140 and 14 more
  • 7LTG · Structure of human HDAC2 in complex with apicidin · YED A407 · binds GLY28, HIS29, PRO30, MET31, GLU99, ASP100, LEU140, HIS141 and 13 more

Residues it binds most

GLY 6, HIS 6, ASP 6, PHE 6, LEU 5, ARG 6, GLU 6, MET 6, PRO 6, TYR 6 (residue and the binding sites it lines).

Found with

  • CA · Calcium ion
  • ZN · Zinc ion
  • PEG · Di(hydroxyethyl)ether

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