GL1X · GenesisL1 explorer

Ligand · 9J5

9J5 · Methyl (2~{R})-2-[(4~{S})-6-(4-chlorophenyl)-9-methoxy-1-methyl-4~{H}-[1,2,4]triazolo[4,3-A][1, 4]benzodiazepin-4-yl]butanoate

9J5, Methyl (2~{R})-2-[(4~{S})-6-(4-chlorophenyl)-9-methoxy-1-methyl-4~{H}-[1,2,4]triazolo[4,3-A][1, 4]benzodiazepin-4-yl]butanoate (C23 H23 Cl N4 O3, 438.9 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry).…

Component
9J5
Formula
C23 H23 Cl N4 O3
Class
ligand
Structures
2
PDB entries
1

Binding sites

9J5 in 2 structures; the first of them:

  • 5O3D · Human Brd2(BD2) mutant in complex with 9-ET · 9J5 A501 · binds TRP370, PRO371, PHE372, VAL376, LEU381, VAL383, TYR386, CYS425 and 6 more
  • 5O3D · Human BRD2(BD2) mutant in complex with 9-et · 9J5 A501 · binds TRP370, PRO371, PHE372, VAL376, LEU381, VAL383, TYR386, CYS425 and 6 more

Residues it binds most

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

Found with

  • DQW · (2~{S})-1-[(2~{S})-2-oxidanylpropoxy]propan-2-ol
  • CL · Chloride ion

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