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Ligand · KK6

KK6 · 5-[3-[[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]methyl]-2-oxidanylidene-4H-quinazolin-1-yl]-2-fluoranyl-benzenecarbonitrile

KK6, 5-[3-[[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]methyl]-2-oxidanylidene-4H-quinazolin-1-yl]-2-fluoranyl-benzenecarbonitrile (C31 H29 F N6 O3, 552.6 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry).…

Component
KK6
Formula
C31 H29 F N6 O3
Class
ligand
Structures
2
PDB entries
1

Binding sites

KK6 in 2 structures; the first of them:

  • 7CE4 · Tankyrase2 catalytic domain in complex with K-476 · KK6 A1204 · binds PHE1030, HIS1031, GLY1032, SER1033, PRO1034, PHE1035, ALA1038, ILE1039 and 17 more
  • 7CE4 · TANKYRASE2 catalytic domain in complex with K-476 · KK6 A1204 · binds PHE1030, HIS1031, GLY1032, SER1033, PRO1034, PHE1035, ALA1038, ILE1039 and 17 more

Residues it binds most

GLY 2, PHE 2, ALA 2, ILE 2, TYR 2, HIS 2, SER 2, ASP 2, GLU 2, LYS 2 (residue and the binding sites it lines).

Found with

  • ZN · Zinc ion
  • SO4 · Sulfate ion
  • PG4 · Tetraethylene glycol

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