GL1X · GenesisL1 explorer

Ligand · 79Z

79Z · 5-cyclopropyl-2-(4-fluorophenyl)-6-[(2-hydroxyethyl)(methylsulfonyl)amino]-N-methyl-1-benzofuran-3-carboxamide

79Z, 5-cyclopropyl-2-(4-fluorophenyl)-6-[(2-hydroxyethyl)(methylsulfonyl)amino]-N-methyl-1-benzofuran-3-carboxamide (C22 H23 F N2 O5 S, 446.5 g/mol), in the MolNFT structures on GenesisL1: bound in 6 records (3 PDB entries). Every binding…

Component
79Z
Formula
C22 H23 F N2 O5 S
Class
ligand
Structures
6
PDB entries
3

Binding sites

79Z in 6 structures; the first of them:

  • 3FQK · Hepatitis C virus polymerase NS5B (BK 1-570) with HCV-796 inhibitor · 79Z A571 · binds PHE193, PRO197, ARG200, LEU204, LEU314, VAL315, ASN316, ASP319 and 14 more
  • 3FQL · Hepatitis C virus polymerase NS5B (CON1 1-570) with HCV-796 inhibitor · 79Z A571 · binds PHE193, PRO197, ARG200, LEU204, LEU314, VAL315, CYS316, ASP319 and 13 more
  • 4TLR · NS5b in complex with lactam-thiophene carboxylic acids · 79Z A602 · binds PHE193, PRO197, ARG200, LEU204, LEU314, CYS316, ASP319, LEU320 and 12 more
  • 3FQK · Hepatitis C virus polymerase NS5B (bk 1-570) with HCV-796 inhibitor · 79Z A571 · binds PHE193, PRO197, ARG200, LEU204, LEU314, VAL315, ASN316, ASP319 and 14 more
  • 3FQL · Hepatitis C virus polymerase NS5B (CON1 1-570) with HCV-796 inhibitor · 79Z A571 · binds PHE193, PRO197, ARG200, LEU204, LEU314, VAL315, CYS316, ASP319 and 13 more
  • 4TLR · NS5B in complex with lactam-thiophene carboxylic acids · 79Z A602 · binds PHE193, PRO197, ARG200, LEU204, LEU314, CYS316, ASP319, LEU320 and 12 more

Residues it binds most

LEU 8, TYR 8, SER 8, VAL 8, ASN 8, CYS 8, ARG 8, ASP 8, ILE 8, MET 8 (residue and the binding sites it lines).

Found with

  • 33H · 3-{(2R,5R)-5-cyclohexyl-2-[(2R)-2-hydroxypropyl]-3-oxomorpholin-4-yl}-5-(3,3-dimethylbut-1-yn-1-yl)thiophene-2-carboxylic acid
  • GOL · Glycerol

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