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Ligand · 9N2

9N2 · 2-(4-fluoranyl-3-oxidanyl-phenyl)carbonylquinoline-7-carbonitrile

9N2, 2-(4-fluoranyl-3-oxidanyl-phenyl)carbonylquinoline-7-carbonitrile (C17 H9 F N2 O2, 292.3 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within 4.5 Å, the residues…

Component
9N2
Formula
C17 H9 F N2 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

9N2 in 2 structures; the first of them:

  • 5O7C · 17beta-hydroxysteroid dehydrogenase 14 variant T205 in complex with a non-steroidal… · 9N2 A304 · binds HIS93, PRO96, SER141, LEU142, VAL143, GLN148, GLN150, TYR154 and 9 more
  • 5O7C · 17BETA-hydroxysteroid dehydrogenase 14 variant T205 in complex with a non-steroidal… · 9N2 A304 · binds HIS93, PRO96, SER141, VAL143, GLN148, TYR154, PRO184, GLY185 and 4 more

Residues it binds most

LEU 2, PRO 2, GLN 2, ASN 2, GLY 2, HIS 2, SER 2, THR 2, TRP 2, TYR 2 (residue and the binding sites it lines).

Found with

  • NAD · Nicotinamide-adenine-dinucleotide
  • NA · Sodium ion
  • BGC · beta-D-glucopyranose

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