GL1X · GenesisL1 explorer

Ligand · SKX

SKX · 7-(diethylamino)-N-[(2S)-2-(2,4-difluorophenyl)-2-hydroxy-3-(1H-1,2,4-triazol-1-yl)propyl]-2-oxo-2H-1-benzopyran-3-carboxamide

SKX, 7-(diethylamino)-N-[(2S)-2-(2,4-difluorophenyl)-2-hydroxy-3-(1H-1,2,4-triazol-1-yl)propyl]-2-oxo-2H-1-benzopyran-3-carboxamide (C25 H25 F2 N5 O4, 497.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry).…

Component
SKX
Formula
C25 H25 F2 N5 O4
Class
ligand
Structures
2
PDB entries
1

Binding sites

SKX in 2 structures; the first of them:

  • 8DL4 · S. CEREVISIAE CYP51 COMPLEXED WITH Courmarin-containing INHIBITOR · SKX A602 · binds TYR72, TYR126, LEU129, PHE134, ILE139, TYR140, PHE236, PRO238 and 16 more
  • 8DL4 · S. cerevisiae CYP51 complexed with courmarin-containing inhibitor · SKX A602 · binds TYR72, TYR126, LEU129, PHE134, ILE139, TYR140, PHE236, PRO238 and 14 more

Residues it binds most

PHE 2, LEU 2, TYR 2, GLY 2, SER 2, THR 2, HIS 2, ILE 2, MET 2, PRO 2 (residue and the binding sites it lines).

Found with

  • HEM · Protoporphyrin IX containing Fe
  • BGC · beta-D-glucopyranose
  • 1PE · Pentaethylene glycol

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