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Ligand · KB2

KB2 · (3S)-3-(4-{(1S)-1,2-dimethyl-1-[(quinolin-6-ylmethyl)amino]propyl}-1H-1,2,3-triazol-1-yl)heptan-2-one

KB2, (3S)-3-(4-{(1S)-1,2-dimethyl-1-[(quinolin-6-ylmethyl)amino]propyl}-1H-1,2,3-triazol-1-yl)heptan-2-one (C24 H33 N5 O, 407.6 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its…

Component
KB2
Formula
C24 H33 N5 O
Class
ligand
Structures
2
PDB entries
1

Binding sites

KB2 in 2 structures; the first of them:

  • 3IUT · The Crystal Structure of Cruzain in Complex with a Tetrafluorophenoxymethyl Ketone… · KB2 A300 · binds GLN19, CYS22, GLY23, SER24, CYS25, TRP26, THR59, ASP60 and 13 more
  • 3IUT · The crystal structure of cruzain in complex with a tetrafluorophenoxymethyl ketone… · KB2 A300 · binds GLN19, CYS22, GLY23, SER24, CYS25, TRP26, THR59, ASP60 and 13 more

Residues it binds most

GLY 2, CYS 2, SER 2, ASP 2, LEU 2, ALA 2, ASN 2, GLN 2, HIS 2, MET 2 (residue and the binding sites it lines).

Found with

  • EDO · 1,2-ethanediol

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