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Ligand · XNC

XNC · (11S)-11-[4-(benzyloxy)-2-fluorophenyl]-3,3-dimethyl-10-[(6-methylpyridin-2-yl)carbonyl]-2,3,4,5,10,11-hexahydrothiopyrano[3,2-b][1,5]benzodiazepin-6-ol 1,1-dioxide

XNC, (11S)-11-[4-(benzyloxy)-2-fluorophenyl]-3,3-dimethyl-10-[(6-methylpyridin-2-yl)carbonyl]-2,3,4,5,10,11-hexahydrothiopyrano[3,2-b][1,5]benzodiazepin-6-ol 1,1-dioxide (C34 H32 F N3 O5 S, 613.7 g/mol), in the MolNFT structures on…

Component
XNC
Formula
C34 H32 F N3 O5 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

XNC in 2 structures; the first of them:

  • 3GNW · HCV NS5B polymerase in complex with 1,5 benzodiazepine inhibitor 4c · XNC A579 · binds ARG158, PHE193, PRO197, ARG200, ASN316, SER365, CYS366, SER367 and 13 more
  • 3GNW · HCV NS5B polymerase in complex with 1,5 benzodiazepine inhibitor 4C · XNC A579 · binds ARG158, PHE193, PRO197, ARG200, ASN316, SER365, CYS366, SER367 and 13 more

Residues it binds most

SER 4, ARG 4, ASN 4, GLY 4, TYR 4, CYS 4, GLN 4, ILE 4, LEU 4, MET 4 (residue and the binding sites it lines).

Found with

  • CL · Chloride ion

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