Ligand · 8XJ

8XJ · 4-fluoro-2-(4-fluorophenyl)-N-methyl-5-(2-methyl-5-{[1-(pyrimidin-2-yl)cyclopropyl]carbamoyl}phenyl)-1-benzofuran-3-carboxamide

8XJ, 4-fluoro-2-(4-fluorophenyl)-N-methyl-5-(2-methyl-5-{[1-(pyrimidin-2-yl)cyclopropyl]carbamoyl}phenyl)-1-benzofuran-3-carboxamide (C31 H24 F2 N4 O3, 538.5 g/mol), in the MolNFT structures on GenesisL1: bound in 1 record (1 PDB entry).…

Component: 8XJ
Formula: C31 H24 F2 N4 O3
Class: ligand
Structures: 1
PDB entries: 1

Binding sites

8XJ in 1 structure; the first of them:

5PZP · Crystal structure of the hepatitis C virus NS5B RNA-dependent RNA polymerase in complex… · 8XJ A602 · binds PHE193, TYR195, SER196, PRO197, ARG200, LEU204, LEU314, CYS316 and 13 more

Residues it binds most

LEU 2, SER 2, TYR 2, CYS 2, ILE 2, PHE 2, ARG 2, MET 2, PRO 2, VAL 2 (residue and the binding sites it lines).

Found with

23E · (2E)-3-(4-{[(1-{[(13-cyclohexyl-6-oxo-6,7-dihydro-5H-indolo[1,2-d][1,4]benzodiazepin-10-yl)carbonyl]amino}cyclopentyl)carbonyl]amino}phenyl)prop-2-enoic acid
SO4 · Sulfate ion
GOL · Glycerol

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