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Ligand · L8G

L8G · (5R,8S,11S)-5-methyl-8-(propan-2-yl)-11-[(1E)-4-sulfanylbut-1-en-1-yl]-3-thia-7,10,14,20,21-pentaazatricyclo[14.3.1.1~2,5~]henicosa-1(20),2(21),16,18-tetraene-6,9,13-trione

L8G, (5R,8S,11S)-5-methyl-8-(propan-2-yl)-11-[(1E)-4-sulfanylbut-1-en-1-yl]-3-thia-7,10,14,20,21-pentaazatricyclo[14.3.1.1~2,5~]henicosa-1(20),2(21),16,18-tetraene-6,9,13-trione (C23 H31 N5 O3 S2, 489.6 g/mol), in the MolNFT structures on…

Component
L8G
Formula
C23 H31 N5 O3 S2
Class
ligand
Structures
2
PDB entries
1

Binding sites

L8G in 2 structures; the first of them:

  • 4RN1 · Crystal structure of S39D HDAC8 in complex with a largazole analogue. · L8G A404 · binds TYR100, HIS142, HIS143, GLY151, PHE152, ASP178, HIS180, PHE208 and 9 more
  • 4RN1 · Crystal structure of S39D HDAC8 in complex with a largazole analogue. · L8G A404 · binds TYR100, HIS142, HIS143, GLY151, PHE152, ASP178, HIS180, PHE208 and 9 more

Residues it binds most

HIS 4, PHE 4, TYR 4, ASP 4, GLY 4, LYS 4, MET 4, PRO 4, ILE 2 (residue and the binding sites it lines).

Found with

  • K · Potassium ion
  • ZN · Zinc ion
  • GOL · Glycerol
  • IMD · Imidazole

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