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Ligand · F45

F45 · [6-(3,4-dihydroxyphenyl)pyridin-2-yl](4-fluoro-3-hydroxyphenyl)methanone

F45, [6-(3,4-dihydroxyphenyl)pyridin-2-yl](4-fluoro-3-hydroxyphenyl)methanone (C18 H12 F N O4, 325.3 g/mol), in the MolNFT structures on GenesisL1: bound in 7 records (5 PDB entries). Every binding site with its residues within 4.5 Å, the…

Component
F45
Formula
C18 H12 F N O4
Class
ligand
Structures
7
PDB entries
5

Binding sites

F45 in 7 structures; the first of them:

  • 5ICM · 17beta-hydroxysteroid dehydrogenase type 14 in complex with a non-steroidal inhibitor · F45 A303 · binds HIS93, PRO96, SER141, VAL143, GLN148, ALA149, GLN150, ALA151 and 7 more
  • 6FFB · 17beta-hydroxysteroid dehydrogenase 14 variant S205 - mutant Q148A - in complex with a… · F45 A304 · binds HIS93, PRO96, SER141, LEU142, VAL143, ALA148, ALA149, GLN150 and 9 more
  • 6ZR6 · 17beta-hydroxysteroid dehydrogenase type 14 variant S205 in complex with non-steroidal… · F45 A304 · binds HIS93, PRO96, SER141, LEU142, VAL143, GLN148, ALA149, GLN150 and 8 more
  • 6FFB · 17BETA-hydroxysteroid dehydrogenase 14 variant S205 - mutant Q148A - in complex with a… · F45 A304 · binds HIS93, PRO96, SER141, VAL143, ALA149, GLN150, ALA151, TYR154 and 7 more
  • 6G4L · 17BETA-hydroxysteroid dehydrogenase type 14 mutant Y253A in complex with a non-steroidal… · F45 A304 · binds HIS93, PRO96, SER141, VAL143, GLN148, ALA149, GLN150, ALA151 and 7 more
  • 6GBT · 17BETA-hydroxysteroid dehydrogenase type 14 mutant Y253A in complex with a non-steroidal… · F45 A302 · binds HIS93, PRO96, SER141, VAL143, GLN148, ALA149, GLN150, ALA151 and 5 more
  • 6ZR6 · 17BETA-hydroxysteroid dehydrogenase type 14 variant S205 in complex with non-steroidal… · F45 A304 · binds HIS93, PRO96, SER141, VAL143, GLN148, ALA149, GLN150, ALA151 and 7 more

Residues it binds most

ALA 7, LEU 7, PRO 7, GLN 7, ASN 7, HIS 7, SER 7, TRP 7, TYR 7, VAL 7 (residue and the binding sites it lines).

Found with

  • NAD · Nicotinamide-adenine-dinucleotide
  • NA · Sodium ion
  • BGC · beta-D-glucopyranose
  • DMS · Dimethyl sulfoxide
  • GLC · alpha-D-glucopyranose

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