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Ligand · 59E

59E · methyl [(4S)-6-(1H-indol-4-yl)-8-methoxy-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]acetate

59E, methyl [(4S)-6-(1H-indol-4-yl)-8-methoxy-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]acetate (C23 H21 N5 O3, 415.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with…

Component
59E
Formula
C23 H21 N5 O3
Class
ligand
Structures
2
PDB entries
1

Binding sites

59E in 2 structures; the first of them:

  • 5DFD · Crystal structure of BRD2(BD2) W370F mutant with ligand 28 bound · 59E A501 · binds PHE370, PRO371, PHE372, VAL376, LEU381, LEU383, CYS425, TYR428 and 5 more
  • 5DFD · Crystal structure of BRD2(BD2) W370F mutant with ligand 28 bound · 59E A501 · binds PHE370, PRO371, PHE372, VAL376, LEU381, LEU383, CYS425, TYR428 and 5 more

Residues it binds most

LEU 2, PHE 2, VAL 2, ASN 2, ASP 2, CYS 2, HIS 2, MET 2, PRO 2, TYR 2 (residue and the binding sites it lines).

Found with

  • GOL · Glycerol

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