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Ligand · 3XT

3XT · 4-amino-3-fluoro-N-(1-{[(2Z)-2-iminoethyl]carbamoyl}cyclohexyl)benzamide

3XT, 4-amino-3-fluoro-N-(1-{[(2Z)-2-iminoethyl]carbamoyl}cyclohexyl)benzamide (C16 H21 F N4 O2, 320.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within 4.5 Å, the…

Component
3XT
Formula
C16 H21 F N4 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

3XT in 2 structures; the first of them:

  • 4X6H · Development of N-(Functionalized benzoyl)-homocycloleucyl-glycinonitriles as Potent… · 3XT A301 · binds GLN19, GLY23, SER24, CYS25, TRP26, ASP61, GLY64, GLY65 and 9 more
  • 4X6H · Development of N-(functionalized benzoyl)-homocycloleucyl- glycinonitriles as potent… · 3XT A301 · binds GLN19, GLY23, SER24, CYS25, TRP26, ASP61, GLY64, GLY65 and 9 more

Residues it binds most

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

Found with

  • I37 · 4-amino-N-{1-[(cyanomethyl)carbamoyl]cyclohexyl}-3-fluorobenzamide
  • SO4 · Sulfate ion

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