GL1X · GenesisL1 explorer

Ligand · YWY

YWY · 2-{(7P)-7-(1,4-dimethyl-1H-1,2,3-triazol-5-yl)-8-fluoro-5-[(S)-(oxan-4-yl)(phenyl)methyl]-5H-pyrido[3, 2-b]indol-3-yl}propan-2-ol

YWY, 2-{(7P)-7-(1,4-dimethyl-1H-1,2,3-triazol-5-yl)-8-fluoro-5-[(S)-(oxan-4-yl)(phenyl)methyl]-5H-pyrido[3, 2-b]indol-3-yl}propan-2-ol (C30 H32 F N5 O2, 513.6 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry).…

Component
YWY
Formula
C30 H32 F N5 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

YWY in 2 structures; the first of them:

  • 7MCE · CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX WITH… · YWY A301 · binds TRP81, PRO82, PHE83, VAL87, LYS91, LEU92, LEU94, TYR97 and 6 more
  • 7MCE · Crystal structure of the first bromodomain of human BRD4 in complex with… · YWY A301 · binds TRP81, PRO82, PHE83, VAL87, LYS91, LEU92, LEU94, TYR97 and 6 more

Residues it binds most

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

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