Ligand · C9A

C9A · 4-chlorobenzyl 6-fluoro-7-(4-methylpiperazin-1-yl)-1-[4-(methylsulfonyl)benzyl]-4-oxo-1,4-dihydroquinoline-3-carboxylate

C9A, 4-chlorobenzyl 6-fluoro-7-(4-methylpiperazin-1-yl)-1-[4-(methylsulfonyl)benzyl]-4-oxo-1,4-dihydroquinoline-3-carboxylate (C30 H29 Cl F N3 O5 S, 598.1 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry).…

Component: C9A
Formula: C30 H29 Cl F N3 O5 S
Class: ligand
Structures: 2
PDB entries: 1

Binding sites

C9A in 2 structures; the first of them:

3PHE · HCV NS5B with a bound quinolone inhibitor · C9A A999 · binds LEU419, ARG422, MET423, LEU474, HIS475, SER476, TYR477, SER478 and 9 more
3PHE · HCV NS5B with a bound quinolone inhibitor · C9A A999 · binds LEU419, ARG422, MET423, LEU474, HIS475, SER476, TYR477, SER478 and 9 more

Residues it binds most

LEU 8, PRO 8, SER 8, ALA 8, ARG 8, ASN 8, HIS 8, ILE 8, MET 8, TRP 8 (residue and the binding sites it lines).

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