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Ligand · 5XE

5XE · 4-bromanyl-~{N}-(6-methoxy-1,3-dimethyl-2-oxidanylidene-benzimidazol-5-yl)-2-methyl-benzenesulfonamide

5XE, 4-bromanyl-~{N}-(6-methoxy-1,3-dimethyl-2-oxidanylidene-benzimidazol-5-yl)-2-methyl-benzenesulfonamide (C17 H18 Br N3 O4 S, 440.3 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (2 PDB entries). Every binding site…

Component
5XE
Formula
C17 H18 Br N3 O4 S
Class
ligand
Structures
2
PDB entries
2

Binding sites

5XE in 2 structures; the first of them:

  • 5FG4 · Crystal structure of the bromodomain of human BRPF1 in complex with OF-1 chemical probe · 5XE A801 · binds ASN651, ILE652, PHE653, VAL657, PRO658, GLU661, VAL662, TYR665 and 5 more
  • 5FG6 · Crystal structure of the bromodomain of human BRD1 (BRPF2) in complex with OF-1 chemical… · 5XE A705 · binds ARG585, ILE586, PHE587, GLN589, PRO590, VAL591, SER592, GLU595 and 5 more

Residues it binds most

PHE 2, VAL 2, ASN 2, ILE 2, TYR 2, CYS 2, GLU 2, PRO 2, ARG 1, GLN 1 (residue and the binding sites it lines).

Found with

  • NI · Nickel (II) ion
  • PO4 · Phosphate ion
  • EDO · 1,2-ethanediol

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