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Ligand · IUL

IUL · 4-[(4R)-7-methyl-2,5-bis(oxidanylidene)-1-[3-(trifluoromethyl)phenyl]-3,4,6,8-tetrahydropyrimido[4,5-d]pyridazin-4-yl]benzenecarbonitrile

IUL, 4-[(4R)-7-methyl-2,5-bis(oxidanylidene)-1-[3-(trifluoromethyl)phenyl]-3,4,6,8-tetrahydropyrimido[4,5-d]pyridazin-4-yl]benzenecarbonitrile (C21 H16 F3 N5 O2, 427.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1…

Component
IUL
Formula
C21 H16 F3 N5 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

IUL in 2 structures; the first of them:

  • 5A8Z · Crystal Structure of human neutrophil elastase in complex with a dihydropyrimidone… · IUL A1001 · binds HIS57, TYR94, PRO96, LEU99, LEU100, ASP102, VAL190, CYS191 and 8 more
  • 5A8Z · Crystal structure of human neutrophil elastase in complex with a dihydropyrimidone… · IUL A1001 · binds HIS57, TYR94, PRO96, LEU99, LEU100, ASP102, VAL190, CYS191 and 8 more

Residues it binds most

ALA 2, ASP 2, LEU 2, PHE 2, SER 2, VAL 2, CYS 2, HIS 2, PRO 2, TYR 2 (residue and the binding sites it lines).

Found with

  • FUC · alpha-L-fucopyranose
  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose

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