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Ligand · VHS

VHS · 3-[(1S)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine

VHS, 3-[(1S)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine (C21 H22 Cl2 F N5 O, 450.3 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its…

Component
VHS
Formula
C21 H22 Cl2 F N5 O
Class
ligand
Structures
2
PDB entries
1

Binding sites

VHS in 2 structures; the first of them:

  • 4C9X · Crystal structure of NUDT1 (MTH1) with S-crizotinib · VHS A1157 · binds TYR7, LEU9, PHE27, ASN33, GLY34, PHE72, PHE74, GLU77 and 7 more
  • 4C9X · Crystal structure of NUDT1 (MTH1) with S-crizotinib · VHS A1157 · binds TYR7, LEU9, PHE27, ASN33, GLY34, PHE72, PHE74, GLU77 and 7 more

Residues it binds most

PHE 2, ASP 2, ASN 2, GLN 2, GLU 2, GLY 2, LEU 2, MET 2, TRP 2, TYR 2 (residue and the binding sites it lines).

Found with

  • CL · Chloride ion
  • SO4 · Sulfate ion

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