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Ligand · E4C

E4C · (8S)-2-{[(4-tert-butylphenyl)methyl]amino}-5-[(piperidin-1-yl)methyl][1,2,4]triazolo[1,5-a]pyrimidin-7(6H)-one

E4C, (8S)-2-{[(4-tert-butylphenyl)methyl]amino}-5-[(piperidin-1-yl)methyl][1,2,4]triazolo[1,5-a]pyrimidin-7(6H)-one (C22 H30 N6 O, 394.5 g/mol), in the MolNFT structures on GenesisL1: bound in 1 record (1 PDB entry). Every binding site…

Component
E4C
Formula
C22 H30 N6 O
Class
ligand
Structures
1
PDB entries
1

Binding sites

E4C in 1 structure; the first of them:

  • 7T1I · Crystal structure of CAB1 Pantothenate Kinase from Saccharomyces cerevisiae in complex… · E4C A401 · binds GLU105, MET106, GLY159, VAL160, SER161, ARG173, GLY175, GLY176 and 13 more

Residues it binds most

GLY 2, ILE 2, SER 2, VAL 2, TYR 2, ALA 2, ARG 2, GLU 2, LEU 2, MET 2 (residue and the binding sites it lines).

Found with

  • SO4 · Sulfate ion
  • EDO · 1,2-ethanediol
  • PEG · Di(hydroxyethyl)ether

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