GL1X · GenesisL1 explorer

Ligand · B42

B42 · N-{3-[(5R)-1-cyclopentyl-4-hydroxy-5-methyl-5-(3-methylbutyl)-2-oxo-1,2,5,6-tetrahydropyridin-3-yl]-1,1-dioxido-4H-1,2,4-benzothiadiazin-7-yl}methanesulfonamide

B42, N-{3-[(5R)-1-cyclopentyl-4-hydroxy-5-methyl-5-(3-methylbutyl)-2-oxo-1,2,5,6-tetrahydropyridin-3-yl]-1,1-dioxido-4H-1,2,4-benzothiadiazin-7-yl}methanesulfonamide (C24 H34 N4 O6 S2, 538.7 g/mol), in the MolNFT structures on GenesisL1…

Component
B42
Formula
C24 H34 N4 O6 S2
Class
ligand
Structures
2
PDB entries
1

Binding sites

B42 in 2 structures; the first of them:

  • 3GYN · Crystal structure of HCV NS5B polymerase with a novel monocyclic dihydropyridi inhibitor · B42 A579 · binds PHE193, PRO197, ARG200, THR287, SER288, ASN291, ASN316, GLY317 and 17 more
  • 3GYN · Crystal structure of HCV NS5B polymerase with a novel monocyclic dihydropyridinone… · B42 A579 · binds PHE193, PRO197, ARG200, THR287, SER288, ASN291, ASN316, GLY317 and 17 more

Residues it binds most

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

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