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Ligand · 993

993 · 3-chloro-4-(2-methylamino-imidazol-1-ylmethyl)-thiophene-2-carboxylic acid [4-chloro-2-(5-chloro-pyridin-2-ylcarbamoyl)-6-methoxy-phenyl]-amide

993, 3-chloro-4-(2-methylamino-imidazol-1-ylmethyl)-thiophene-2-carboxylic acid [4-chloro-2-(5-chloro-pyridin-2-ylcarbamoyl)-6-methoxy-phenyl]-amide (C23 H19 Cl3 N6 O3 S, 565.9 g/mol), in the MolNFT structures on GenesisL1: bound in 2…

Component
993
Formula
C23 H19 Cl3 N6 O3 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

993 in 2 structures; the first of them:

  • 2P3T · Crystal structure of human factor XA complexed with… · 993 B500 · binds LYS96, GLU97, THR98, TYR99, ARG143, GLU146, PHE174, ASP189 and 13 more
  • 2P3T · Crystal structure of human factor xa complexed with 3… · 993 B500 · binds LYS96, GLU97, THR98, TYR99, ARG143, GLU146, PHE174, ASP189 and 13 more

Residues it binds most

GLU 2, GLY 2, CYS 2, TYR 2, ALA 2, ARG 2, ASP 2, GLN 2, ILE 2, LYS 2 (residue and the binding sites it lines).

Found with

  • CA · Calcium ion
  • CL · Chloride ion

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