GL1X · GenesisL1 explorer

Ligand · JJX

JJX · (4R)-4-(4-cyanophenyl)-6-methyl-2-oxidanylidene-3-[2-oxidanylidene-2-(4-propan-2-ylpiperazin-1-yl)ethyl]-1-[3-(trifluoromethyl)phenyl]-4H-pyrimidine-5-carbonitrile

JJX, (4R)-4-(4-cyanophenyl)-6-methyl-2-oxidanylidene-3-[2-oxidanylidene-2-(4-propan-2-ylpiperazin-1-yl)ethyl]-1-[3-(trifluoromethyl)phenyl]-4H-pyrimidine-5-carbonitrile (C29 H29 F3 N6 O2, 550.6 g/mol), in the MolNFT structures on…

Component
JJX
Formula
C29 H29 F3 N6 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

JJX in 2 structures; the first of them:

  • 5A0B · Crystal Structure of human neutrophil elastase in complex with a dihydropyrimidone… · JJX A1001 · binds HIS57, TYR94, ASP95, PRO96, LEU99, LEU100, ASP102, VAL190 and 9 more
  • 5A0B · Crystal structure of human neutrophil elastase in complex with a dihydropyrimidone… · JJX A1001 · binds HIS57, TYR94, ASP95, PRO96, LEU99, LEU100, ASP102, VAL190 and 9 more

Residues it binds most

ASP 2, CYS 2, LEU 2, PHE 2, SER 2, VAL 2, ALA 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
  • DMS · Dimethyl sulfoxide

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