Ligand · 5YX

5YX · N-[3-(2-tert-butyl-5-{2-[2-(methanesulfonyl) ethyl]pyrimidin-4-yl}-1,3-thiazol-4-yl)-2-fluorophenyl]-2,5-difluorobenzene-1-sulfonamide

5YX, N-[3-(2-tert-butyl-5-{2-[2-(methanesulfonyl) ethyl]pyrimidin-4-yl}-1,3-thiazol-4-yl)-2-fluorophenyl]-2,5-difluorobenzene-1-sulfonamide (C26 H25 F3 N4 O4 S3, 610.7 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1…

Component: 5YX
Formula: C26 H25 F3 N4 O4 S3
Class: ligand
Structures: 2
PDB entries: 1

Binding sites

5YX in 2 structures; the first of them:

7RIO · human PXR LBD bound to GSK003 · 5YX A501 · binds LEU206, LEU209, VAL211, LEU239, LEU240, MET243, SER247, PHE251 and 13 more
7RIO · Human pxr lbd bound to GSK003 · 5YX A501 · binds LEU206, LEU209, LEU239, LEU240, MET243, SER247, PHE251, PHE281 and 11 more

Residues it binds most

LEU 2, PHE 2, MET 2, ARG 2, GLN 2, HIS 2, SER 2, TRP 2, TYR 2, CYS 1 (residue and the binding sites it lines).

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