GL1X · GenesisL1 explorer

Ligand · VP7

VP7 · 4-(2-amino-5,6,7,8-tetrahydropyrimido[4',5':3, 4]cyclohepta[1,2-b]indol-11-yl)-2-methylbut-3-yn-2-ol

VP7, 4-(2-amino-5,6,7,8-tetrahydropyrimido[4',5':3, 4]cyclohepta[1,2-b]indol-11-yl)-2-methylbut-3-yn-2-ol (C20 H20 N4 O, 332.4 g/mol), in the MolNFT structures on GenesisL1: bound in 3 records (2 PDB entries). Every binding site with its…

Component
VP7
Formula
C20 H20 N4 O
Class
ligand
Structures
3
PDB entries
2

Binding sites

VP7 in 3 structures; the first of them:

  • 7JXX · Structure of TTBK1 kinase domain in complex with Compound 3 · VP7 A401 · binds ILE40, ILE48, ALA61, LYS63, GLU77, LEU81, CYS91, VAL105 and 8 more
  • 7ZHN · Crystal structure of TTBK1 in complex with AMG28 · VP7 A408 · binds ILE40, ILE48, ALA61, LYS63, GLU77, LEU81, CYS91, VAL105 and 8 more
  • 7JXX · Structure of TTBK1 kinase domain in complex with compound 3 · VP7 A401 · binds ILE40, ILE48, ALA61, LYS63, GLU77, CYS91, MET107, GLN108 and 5 more

Residues it binds most

LEU 3, GLN 3, ILE 3, ALA 3, ASP 3, CYS 3, GLU 3, LYS 3, MET 3, PHE 3 (residue and the binding sites it lines).

Found with

  • NA · Sodium ion
  • PO4 · Phosphate ion
  • EDO · 1,2-ethanediol

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