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Ligand · VBM

VBM · Methyl {(7R)-6-cyano-7-(4-cyanophenyl)-5-methyl-4-[3-(trifluoromethyl)phenyl]-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}carbamate

VBM, Methyl {(7R)-6-cyano-7-(4-cyanophenyl)-5-methyl-4-[3-(trifluoromethyl)phenyl]-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}carbamate (C23 H16 F3 N7 O2, 479.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB…

Component
VBM
Formula
C23 H16 F3 N7 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

VBM in 2 structures; the first of them:

  • 5A8Y · Crystal Structure of human neutrophil elastase in complex with a dihydropyrimidone… · VBM A1001 · binds HIS57, TYR94, ASP95, PRO96, LEU99, LEU100, ASP102, VAL190 and 11 more
  • 5A8Y · Crystal structure of human neutrophil elastase in complex with a dihydropyrimidone… · VBM A1001 · binds HIS57, TYR94, ASP95, PRO96, LEU99, LEU100, ASP102, VAL190 and 11 more

Residues it binds most

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

Found with

  • FUC · alpha-L-fucopyranose
  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose
  • MES · 2-(N-morpholino)-ethanesulfonic acid
  • MLI · Malonate ion

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