GL1X · GenesisL1 explorer

Ligand · WSH

WSH · Benzyl [(4R)-1-methyl-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]carbamate

WSH, Benzyl [(4R)-1-methyl-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]carbamate (C25 H21 N5 O2, 423.5 g/mol), in the MolNFT structures on GenesisL1: bound in 6 records (3 PDB entries). Every binding site with its residues…

Component
WSH
Formula
C25 H21 N5 O2
Class
ligand
Structures
6
PDB entries
3

Binding sites

WSH in 6 structures; the first of them:

  • 2YDW · Crystal Structure of the First Bromodomain of Human Brd2 with the inhibitor GW841819X · WSH A1183 · binds TRP97, PRO98, PHE99, VAL103, LEU108, LEU110, CYS152, TYR155 and 3 more
  • 2YEL · Crystal Structure of the First Bromodomain of Human Brd4 with the inhibitor GW841819X · WSH A1170 · binds TRP81, PRO82, PHE83, VAL87, LEU92, LEU94, TYR97, CYS136 and 5 more
  • 2YEM · Crystal Structure of the Second Bromodomain of Human Brd4 with the inhibitor GW841819X · WSH A1459 · binds TRP374, PRO375, PHE376, VAL380, LEU385, LEU387, CYS429, TYR432 and 5 more
  • 2YDW · Crystal structure of the first bromodomain of human BRD2 with the inhibitor GW841819X · WSH A1183 · binds TRP97, PRO98, PHE99, VAL103, LEU108, LEU110, CYS152, TYR155 and 3 more
  • 2YEL · Crystal structure of the first bromodomain of human BRD4 with the inhibitor GW841819X · WSH A1170 · binds TRP81, PRO82, PHE83, VAL87, LEU92, LEU94, TYR97, CYS136 and 5 more
  • 2YEM · Crystal structure of the second bromodomain of human BRD4 with the inhibitor GW841819X · WSH A1459 · binds TRP374, PRO375, PHE376, VAL380, LEU385, LEU387, CYS429, TYR432 and 5 more

Residues it binds most

LEU 12, TYR 12, VAL 12, ASN 12, MET 12, PHE 12, PRO 12, TRP 12, CYS 10, ILE 8 (residue and the binding sites it lines).

Found with

  • SO4 · Sulfate ion
  • EDO · 1,2-ethanediol

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