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Ligand · 25B

25B · (1R,2R)-2-[(4-chlorophenyl)carbonyl]-N-{(1S)-1-[2-(phenylsulfonyl)ethyl]pentyl}cyclohexanecarboxamide

25B, (1R,2R)-2-[(4-chlorophenyl)carbonyl]-N-{(1S)-1-[2-(phenylsulfonyl)ethyl]pentyl}cyclohexanecarboxamide (C27 H34 Cl N O4 S, 504.1 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with…

Component
25B
Formula
C27 H34 Cl N O4 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

25B in 2 structures; the first of them:

  • 3HD3 · High resolution crystal structure of cruzain bound to the vinyl sulfone inhibitor… · 25B A216 · binds GLN19, GLY23, CYS25, TRP26, SER61, CYS63, SER64, GLY65 and 10 more
  • 3HD3 · High resolution crystal structure of cruzain bound to the vinyl sulfone inhibitor… · 25B A216 · binds GLN19, GLY23, CYS25, TRP26, SER61, CYS63, SER64, GLY65 and 10 more

Residues it binds most

GLY 4, ALA 4, CYS 4, LEU 4, SER 4, TRP 4, ASP 4, GLN 4, HIS 4, MET 4 (residue and the binding sites it lines).

Found with

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

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