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Ligand · S2I

S2I · 3-[[2-pyridin-2-yl-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidin-4-yl]amino]propan-1-ol

S2I, 3-[[2-pyridin-2-yl-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidin-4-yl]amino]propan-1-ol (C22 H25 N5 O, 375.5 g/mol), in the MolNFT structures on GenesisL1: bound in 1 record (1 PDB entry). Every binding site with its residues…

Component
S2I
Formula
C22 H25 N5 O
Class
ligand
Structures
1
PDB entries
1

Binding sites

S2I in 1 structure; the first of them:

  • 5A1L · Crystal structure of JmjC domain of human histone demethylase UTY with S21056a · S2I A2267 · binds ARG869, GLN871, SER893, PHE952, THR954, ASN955, TYR1003, LYS1005 and 10 more

Residues it binds most

ASN 2, ARG 2, GLN 2, SER 2, THR 2, GLU 2, HIS 2, LYS 2, PHE 2, PRO 2 (residue and the binding sites it lines).

Found with

  • FE2 · Fe (II) ion
  • ZN · Zinc ion
  • EDO · 1,2-ethanediol

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