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Ligand · TVT

TVT · 2-methyl-2-(3-methyl-4-{[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino}-1H-pyrazol-1-yl)propanenitrile

TVT, 2-methyl-2-(3-methyl-4-{[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino}-1H-pyrazol-1-yl)propanenitrile (C14 H16 F3 N7, 339.3 g/mol), in the MolNFT structures on GenesisL1: bound in 3 records (2 PDB entries). Every binding…

Component
TVT
Formula
C14 H16 F3 N7
Class
ligand
Structures
3
PDB entries
2

Binding sites

TVT in 3 structures; the first of them:

  • 7BJD · Crystal structure of CHK1-10pt-mutant complex with compound 3 · TVT A301 · binds THR14, LEU15, VAL23, ALA36, ILE68, MET84, GLU85, LEU86 and 7 more
  • 8SMC · Cryo-EM structure of LRRK2 bound with type-I inhibitor DNL201 · TVT C2602 · binds LEU1885, VAL1893, ARG1895, ALA1904, ILE1933, MET1947, GLU1948, LEU1949 and 7 more
  • 7BJD · Crystal structure of CHK1-10PT-mutant complex with compound 3 · TVT A301 · binds THR14, LEU15, VAL23, ALA36, ILE68, MET84, GLU85, LEU86 and 7 more

Residues it binds most

ALA 3, LEU 3, SER 3, GLU 3, GLY 3, ILE 3, MET 3, VAL 3, ARG 1, ASP 2 (residue and the binding sites it lines).

Found with

  • CL · Chloride ion
  • GDP · Guanosine-5'-diphosphate

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