GL1X · GenesisL1 explorer

Ligand · 2RY

2RY · 1-[4-(7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(12),2(6),8,10-tetraen-12-yl)piperazin-1-yl]-2-[2-(trifluoromethyl)phenyl]ethanone

2RY, 1-[4-(7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(12),2(6),8,10-tetraen-12-yl)piperazin-1-yl]-2-[2-(trifluoromethyl)phenyl]ethanone (C22 H21 F3 N4 O S, 446.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1…

Component
2RY
Formula
C22 H21 F3 N4 O S
Class
ligand
Structures
2
PDB entries
1

Binding sites

2RY in 2 structures; the first of them:

  • 4O9S · Crystal structure of Retinol-Binding Protein 4 (RBP4)in complex with a non-retinoid ligand · 2RY A201 · binds LEU35, PHE36, LEU37, ALA43, PHE45, ALA55, THR56, ALA57 and 14 more
  • 4O9S · Crystal structure of retinol-binding protein 4 (RBP4)IN complex with a non-retinoid ligand · 2RY A201 · binds LEU35, PHE36, LEU37, ALA43, PHE45, ALA55, THR56, ALA57 and 14 more

Residues it binds most

PHE 4, ALA 4, LEU 4, MET 4, TYR 4, VAL 4, ARG 4, ASP 4, GLY 4, HIS 4 (residue and the binding sites it lines).

Found with

  • CL · Chloride ion
  • EDO · 1,2-ethanediol
  • PEG · Di(hydroxyethyl)ether

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