GL1X · GenesisL1 explorer

Ligand · 0V6

0V6 · (2Z,6S)-6-{3-chloro-5-[5-(prop-1-yn-1-yl)pyridin-3-yl]thiophen-2-yl}-2-imino-3,6-dimethyltetrahydropyrimidin-4(1H)-one

0V6, (2Z,6S)-6-{3-chloro-5-[5-(prop-1-yn-1-yl)pyridin-3-yl]thiophen-2-yl}-2-imino-3,6-dimethyltetrahydropyrimidin-4(1H)-one (C18 H17 Cl N4 O S, 372.9 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every…

Component
0V6
Formula
C18 H17 Cl N4 O S
Class
ligand
Structures
2
PDB entries
1

Binding sites

0V6 in 2 structures; the first of them:

  • 4FRS · Structure of BACE in complex with (S)-4-(3-chloro-5-(5-(prop-1-yn-1-yl)pyridin-3-yl)thioph… · 0V6 A501 · binds SER71, GLY72, GLN73, GLY74, LEU91, ASP93, GLY95, SER96 and 13 more
  • 4FRS · Structure of bace in complex with (S)-4-(3-chloro-5-(5-(prop-1-yn-1… · 0V6 A501 · binds SER71, GLY72, GLN73, GLY74, LEU91, ASP93, GLY95, SER96 and 13 more

Residues it binds most

GLY 4, SER 4, ASP 4, GLN 4, ILE 4, THR 4, ALA 4, LEU 4, PHE 4, TRP 4 (residue and the binding sites it lines).

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