GL1X · GenesisL1 explorer

Ligand · YAK

YAK · N-{3-[(4aR,7aS)-1-(4-fluorobenzyl)-4-hydroxy-2-oxo-2,4a,5,6,7,7a-hexahydro-1H-cyclopenta[b]pyridin-3-yl]-1,1-dioxido-2H-1,2,4-benzothiadiazin-7-yl}methanesulfonamide

YAK, N-{3-[(4aR,7aS)-1-(4-fluorobenzyl)-4-hydroxy-2-oxo-2,4a,5,6,7,7a-hexahydro-1H-cyclopenta[b]pyridin-3-yl]-1,1-dioxido-2H-1,2,4-benzothiadiazin-7-yl}methanesulfonamide (C23 H23 F N4 O6 S2, 534.6 g/mol), in the MolNFT structures on…

Component
YAK
Formula
C23 H23 F N4 O6 S2
Class
ligand
Structures
2
PDB entries
1

Binding sites

YAK in 2 structures; the first of them:

  • 3H2L · Crystal structure of HCV NS5B polymerase in complex with a novel bicyclic dihydro-pyridi… · YAK A601 · binds PHE193, SER196, PRO197, ARG200, THR287, SER288, ASN291, ASN316 and 15 more
  • 3H2L · Crystal structure of HCV NS5B polymerase in complex with a novel bicyclic… · YAK A601 · binds PHE193, SER196, PRO197, ARG200, THR287, SER288, ASN291, ASN316 and 15 more

Residues it binds most

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

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