GL1X · GenesisL1 explorer

Ligand · VMY

VMY · (1S)-1-(5-{[1-(2,6-difluorobenzyl)-1H-pyrazol-3-yl]amino}-1,3,4-thiadiazol-2-yl)-1-(4-methyl-1,3-thiazol-2-yl)ethanol

VMY, (1S)-1-(5-{[1-(2,6-difluorobenzyl)-1H-pyrazol-3-yl]amino}-1,3,4-thiadiazol-2-yl)-1-(4-methyl-1,3-thiazol-2-yl)ethanol (C18 H16 F2 N6 O S2, 434.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every…

Component
VMY
Formula
C18 H16 F2 N6 O S2
Class
ligand
Structures
2
PDB entries
1

Binding sites

VMY in 2 structures; the first of them:

  • 4BQP · Mtb InhA complex with Methyl-thiazole compound 7 · VMY A1272 · binds GLY96, PHE97, MET98, GLN100, MET103, GLY104, PHE149, ALA157 and 9 more
  • 4BQP · Mtb inha complex with methyl-thiazole compound 7 · VMY A1272 · binds GLY96, PHE97, MET98, GLN100, MET103, GLY104, PHE149, ALA157 and 9 more

Residues it binds most

MET 12, GLY 12, PHE 12, ALA 12, ILE 10, GLN 12, LYS 12, TYR 12, LEU 10, PRO 4 (residue and the binding sites it lines).

Found with

  • NAD · Nicotinamide-adenine-dinucleotide
  • NA · Sodium ion

GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.