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Ligand · 6RS

6RS · ~{N}-[(1~{S})-1-(3,4-dihydro-2~{H}-1,5-benzodioxepin-7-yl)ethyl]-2-methyl-pyridin-3-amine

6RS, ~{N}-[(1~{S})-1-(3,4-dihydro-2~{H}-1,5-benzodioxepin-7-yl)ethyl]-2-methyl-pyridin-3-amine (C17 H20 N2 O2, 284.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues…

Component
6RS
Formula
C17 H20 N2 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

6RS in 2 structures; the first of them:

  • 5L8U · Crystal Structure of BAZ2B bromodomain in complex with 3-amino-2-methylpyridine… · 6RS A2001 · binds TRP1887, PRO1888, PHE1889, VAL1893, TYR1901, PHE1943, ASN1944, ILE1950
  • 5L8U · Crystal structure of BAZ2B bromodomain in complex with 3-amino-2- methylpyridine… · 6RS A2001 · binds TRP1887, PRO1888, PHE1889, VAL1893, TYR1901, PHE1943, ASN1944, ILE1950

Residues it binds most

PHE 2, ASN 2, ILE 2, PRO 2, TRP 2, TYR 2, VAL 2 (residue and the binding sites it lines).

Found with

  • PGE · Triethylene glycol

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