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Ligand · VUD

VUD · 6-{(1S)-1-[(2-amino-6-fluoroquinolin-3-yl)oxy]ethyl}-5-(1H-pyrazol-1-yl)pyridin-2(1H)-one

VUD, 6-{(1S)-1-[(2-amino-6-fluoroquinolin-3-yl)oxy]ethyl}-5-(1H-pyrazol-1-yl)pyridin-2(1H)-one (C19 H16 F N5 O2, 365.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues…

Component
VUD
Formula
C19 H16 F N5 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

VUD in 2 structures; the first of them:

  • 7JY3 · Structure of HbA with compound 23 (PF-07059013) · VUD A204 · binds VAL1, LEU2, LYS7, VAL73, ASP74, MET76, SER131, ASP74 and 6 more
  • 7JY3 · Structure of hba with compound 23 (pf-07059013) · VUD A204 · binds VAL1, LEU2, LYS7, VAL73, ASP74, MET76, SER131, ASP74 and 6 more

Residues it binds most

VAL 4, ASP 4, MET 4, SER 4, ASN 4, LEU 4, LYS 4, PRO 4, THR 4 (residue and the binding sites it lines).

Found with

  • HEM · Protoporphyrin IX containing Fe
  • O4B · 1,4,7,10,13,16-hexaoxacyclooctadecane
  • OXY · Oxygen molecule

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