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Ligand · VK2

VK2 · 4-[4-[5-[imidazo[1,2-a]pyridin-6-ylmethyl(methyl) amino]-1,3,4-oxadiazol-2-yl]-3-methyl-phenyl]-2,5-dimethyl-pyrazole-3-carbonitrile

VK2, 4-[4-[5-[imidazo[1,2-a]pyridin-6-ylmethyl(methyl) amino]-1,3,4-oxadiazol-2-yl]-3-methyl-phenyl]-2,5-dimethyl-pyrazole-3-carbonitrile (C24 H22 N8 O, 438.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry).…

Component
VK2
Formula
C24 H22 N8 O
Class
ligand
Structures
2
PDB entries
1

Binding sites

VK2 in 2 structures; the first of them:

  • 7OLV · MerTK kinase domain with type 1.5 inhibitor containing a di-methyl, cyano pyrazole group · VK2 A901 · binds VAL601, ALA617, LYS619, MET621, PHE634, GLU637, ALA638, MET641 and 12 more
  • 7OLV · Mertk kinase domain with type 1.5 inhibitor containing a di-methyl, cyano pyrazole group · VK2 A901 · binds VAL601, ALA617, PHE634, GLU637, ALA638, MET641, ILE650, LEU652 and 10 more

Residues it binds most

MET 2, ALA 2, PHE 2, VAL 2, LEU 2, ASP 2, GLU 2, ILE 2, PRO 2, LYS 1 (residue and the binding sites it lines).

Found with

  • CL · Chloride ion
  • DMS · Dimethyl sulfoxide

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