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Ligand · I50

I50 · N-[2-({[amino(imino)methyl]amino}oxy)ethyl]-2-{6-chloro-3-[(2,2-difluoro-2-phenylethyl)amino]-2-fluorophenyl}acetamide

I50, N-[2-({[amino(imino)methyl]amino}oxy)ethyl]-2-{6-chloro-3-[(2,2-difluoro-2-phenylethyl)amino]-2-fluorophenyl}acetamide (C19 H21 Cl F3 N5 O2, 443.9 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every…

Component
I50
Formula
C19 H21 Cl F3 N5 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

I50 in 2 structures; the first of them:

  • 2R2M · 2-(2-Chloro-6-Fluorophenyl)Acetamides as Potent Thrombin Inhibitors · I50 B5000 · binds HIS79, TYR83, TRP86, GLU130, ASN131, LEU132, ILE209, ASP229 and 12 more
  • 2R2M · 2-(2-chloro-6-FLUOROPHENYL)ACETAMIDES as potent thrombin inhibitors · I50 B5000 · binds HIS79, TYR83, TRP86, GLU130, ASN131, LEU132, ILE209, ASP229 and 12 more

Residues it binds most

GLU 2, GLY 2, CYS 2, SER 2, TRP 2, ALA 2, ASN 2, ASP 2, HIS 2, ILE 2 (residue and the binding sites it lines).

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