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Ligand · O53

O53 · (2S)-2-(4-propan-2-ylphenyl)-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one

O53, (2S)-2-(4-propan-2-ylphenyl)-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one (C16 H17 N3 O, 267.3 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…

Component
O53
Formula
C16 H17 N3 O
Class
ligand
Structures
2
PDB entries
1

Binding sites

O53 in 2 structures; the first of them:

  • 5AL2 · Crystal structure of TNKS2 in complex with 2-(4-(propan-2-yl)phenyl)… · O53 A2164 · binds PHE1030, HIS1031, GLY1032, SER1033, PRO1034, PHE1035, ARG1047, HIS1048 and 10 more
  • 5AL2 · Crystal structure of TNKS2 in complex with 2-(4-(propan-2… · O53 A2164 · binds PHE1030, HIS1031, GLY1032, SER1033, PRO1034, PHE1035, ARG1047, HIS1048 and 10 more

Residues it binds most

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

Found with

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

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