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Ligand · L8L

L8L · ~{N}-[1,1-bis(oxidanylidene)thian-4-yl]-7-[3-methyl-1-(piperidin-4-ylmethyl)indol-5-yl]-4-oxidanylidene-5-propyl-thieno[3,2-c]pyridine-2-carboxamide

L8L, ~{N}-[1,1-bis(oxidanylidene)thian-4-yl]-7-[3-methyl-1-(piperidin-4-ylmethyl)indol-5-yl]-4-oxidanylidene-5-propyl-thieno[3,2-c]pyridine-2-carboxamide (C31 H38 N4 O4 S2, 594.8 g/mol), in the MolNFT structures on GenesisL1: bound in 2…

Component
L8L
Formula
C31 H38 N4 O4 S2
Class
ligand
Structures
2
PDB entries
1

Binding sites

L8L in 2 structures; the first of them:

  • 8A7I · Crystal structure of BRD9 bromodomain in complex with compound EA-89 · L8L A301 · binds HIS158, GLY159, PHE160, PHE161, PHE163, VAL165, ILE169, ALA170 and 7 more
  • 8A7I · Crystal structure of BRD9 bromodomain in complex with compound ea-89 · L8L A301 · binds HIS158, PHE160, PHE161, PHE163, VAL165, ILE169, ALA212, TYR215 and 4 more

Residues it binds most

PHE 4, TYR 4, ALA 4, ARG 4, ASN 4, HIS 4, ILE 4, THR 4, VAL 4, GLY 2 (residue and the binding sites it lines).

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