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Ligand · GXO

GXO · [1,1,1-tris(fluoranyl)-2-methyl-propan-2-yl] ~{N}-[(1~{S},4~{R},6~{S},7~{Z},11~{R},13~{R},14~{S}, 18~{R})-13-ethyl-18-(7-fluoranyl-6-methoxy-isoquinolin-1-yl)oxy-11-methyl-4-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2,15-bis(oxidanylidene)-3,16-diazatricyclo[14.3.0.0^{4, 6}]nonadec-7-en-14-yl]carbamate

GXO, [1,1,1-tris(fluoranyl)-2-methyl-propan-2-yl] ~{N}-[(1~{S},4~{R},6~{S},7~{Z},11~{R},13~{R},14~{S}, 18~{R})-13-ethyl-18-(7-fluoranyl-6-methoxy-isoquinolin-1-yl)oxy-11-methyl-4-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2,15-bis(oxidanylide…

Component
GXO
Formula
C40 H51 F4 N5 O9 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

GXO in 2 structures; the first of them:

  • 7D5L · Discovery of BMS-986144, a Third Generation, Pan Genotype NS3/4A Protease Inhibitor for… · GXO A402 · binds GLN141, THR142, PHE143, HIS157, GLY158, ASP179, ASP181, ARG223 and 15 more
  • 7D5L · Discovery of bms-986144, a third generation, pan genotype NS3/4A protease inhibitor for… · GXO A402 · binds GLN141, THR142, PHE143, HIS157, GLY158, ASP179, ASP181, ARG223 and 15 more

Residues it binds most

ASP 8, ALA 8, ARG 8, GLY 8, PHE 8, SER 8, VAL 8, LYS 8, CYS 8, GLN 8 (residue and the binding sites it lines).

Found with

  • ZN · Zinc ion

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