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Ligand · NKI

NKI · (2S)-2-(4-chlorophenyl)-2,3-dihydro-1H-quinazolin-4-one

NKI, (2S)-2-(4-chlorophenyl)-2,3-dihydro-1H-quinazolin-4-one (C14 H11 Cl N2 O, 258.7 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within 4.5 Å, the residues it binds…

Component
NKI
Formula
C14 H11 Cl N2 O
Class
ligand
Structures
2
PDB entries
1

Binding sites

NKI in 2 structures; the first of them:

  • 5AKW · Crystal structure of TNKS2 in complex with 2-(4-chlorophenyl)-1,2,3,4… · NKI A2163 · binds PHE1030, HIS1031, GLY1032, SER1033, PRO1034, PHE1035, HIS1048, ALA1049 and 9 more
  • 5AKW · Crystal structure of TNKS2 in complex with 2-(4… · NKI A2163 · binds PHE1030, HIS1031, GLY1032, SER1033, PRO1034, PHE1035, HIS1048, ALA1049 and 9 more

Residues it binds most

PHE 4, TYR 4, ALA 4, HIS 4, SER 4, GLU 4, GLY 4, ILE 4, LYS 4, PRO 4 (residue and the binding sites it lines).

Found with

  • ZN · Zinc ion
  • SO4 · Sulfate ion
  • GOL · Glycerol

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