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Ligand · 6X0

6X0 · 4-ethyl-~{N}-[3-(methoxymethyl)-2-[[4-[[(3~{R})-pyrrolidin-3-yl]methoxy]phenoxy]methyl]phenyl]thieno[3,2-b]pyrrole-5-carboxamide

6X0, 4-ethyl-~{N}-[3-(methoxymethyl)-2-[[4-[[(3~{R})-pyrrolidin-3-yl]methoxy]phenoxy]methyl]phenyl]thieno[3,2-b]pyrrole-5-carboxamide (C29 H33 N3 O4 S, 519.7 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry).…

Component
6X0
Formula
C29 H33 N3 O4 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

6X0 in 2 structures; the first of them:

  • 5LHH · Structure of the KDM1A/CoREST complex with the inhibitor… · 6X0 A908 · binds VAL333, THR335, ILE356, GLN358, PHE538, ALA539, ASN540, ASP555 and 8 more
  • 5LHH · Structure of the KDM1A/COREST complex with the inhibitor 4-ethyl-N-[3… · 6X0 A908 · binds VAL333, THR335, ILE356, GLN358, PHE538, ALA539, ASP555, HIS564 and 5 more

Residues it binds most

ALA 2, THR 2, LEU 2, ASP 2, GLN 2, HIS 2, ILE 2, PHE 2, TRP 2, TYR 2 (residue and the binding sites it lines).

Found with

  • FAD · Flavin-adenine dinucleotide
  • GOL · Glycerol

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