Ligand · B80
B80 · N-{3-[(6S)-6-ethyl-1-(4-fluorobenzyl)-4-hydroxy-2-oxo-1,2,5,6-tetrahydropyridin-3-yl]-1,1-dioxido-2H-1,2,4-benzothiadiazin-7-yl}methanesulfonamide
B80, N-{3-[(6S)-6-ethyl-1-(4-fluorobenzyl)-4-hydroxy-2-oxo-1,2,5,6-tetrahydropyridin-3-yl]-1,1-dioxido-2H-1,2,4-benzothiadiazin-7-yl}methanesulfonamide (C22 H23 F N4 O6 S2, 522.6 g/mol), in the MolNFT structures on GenesisL1: bound in 2…
- Component
- B80
- Formula
- C22 H23 F N4 O6 S2
- Class
- ligand
- Structures
- 2
- PDB entries
- 1
Binding sites
B80 in 2 structures; the first of them:
- 3IGV · Crystal structure of HCV NS5B polymerase with a novel monocyclic dihydro-pyridi inhibitor · B80 A579 · binds PHE193, SER196, PRO197, ARG200, SER288, ASN291, ASN316, GLY317 and 14 more
- 3IGV · Crystal structure of HCV NS5B polymerase with a novel monocyclic dihydro-pyridinone… · B80 A579 · binds PHE193, SER196, PRO197, ARG200, SER288, ASN291, ASN316, GLY317 and 14 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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