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Ligand · 716

716 · 2-[2-(3-chloro-phenyl)-2-hydroxy-acetylamino]-N-[4-guanidino-1-(thiazole-2-carbonyl)-butyl]-3-methyl-butyramide

716, 2-[2-(3-chloro-phenyl)-2-hydroxy-acetylamino]-N-[4-guanidino-1-(thiazole-2-carbonyl)-butyl]-3-methyl-butyramide (C22 H27 Cl N6 O4 S, 507.0 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding…

Component
716
Formula
C22 H27 Cl N6 O4 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

716 in 2 structures; the first of them:

  • 1ZPC · Crystal Structure of the Catalytic Domain of Coagulation Factor XI in Complex with… · 716 A301 · binds HIS57, ALA97, GLU98, TYR172, HIS174, ASP189, ALA190, CYS191 and 12 more
  • 1ZPC · Crystal structure of the catalytic domain of coagulation factor XI in complex with… · 716 A301 · binds HIS57, ALA97, GLU98, TYR172, HIS174, ASP189, ALA190, CYS191 and 12 more

Residues it binds most

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

Found with

  • SO4 · Sulfate ion

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