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Ligand · C58

C58 · (2S)-3-phenyl-N~1~-[2-(pyridin-4-yl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl]propane-1,2-diamine

C58, (2S)-3-phenyl-N~1~-[2-(pyridin-4-yl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl]propane-1,2-diamine (C24 H25 N5 S, 415.6 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site…

Component
C58
Formula
C24 H25 N5 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

C58 in 2 structures; the first of them:

  • 3ZH8 · A novel small molecule aPKC inhibitor · C58 A1582 · binds ILE251, GLY252, ARG253, GLY254, TYR256, ALA257, VAL259, ALA272 and 10 more
  • 3ZH8 · A novel small molecule apkc inhibitor · C58 A1582 · binds ILE251, GLY252, ARG253, GLY254, TYR256, ALA257, VAL259, ALA272 and 10 more

Residues it binds most

ASP 6, GLY 6, ALA 6, TYR 6, VAL 6, ARG 6, GLU 6, ILE 6, LEU 6, LYS 6 (residue and the binding sites it lines).

Found with

  • CL · Chloride ion
  • IOD · Iodide ion
  • EDO · 1,2-ethanediol

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