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Ligand · IK8

IK8 · 1-(3-amino-1,2-benzisoxazol-5-yl)-N-(4-{2-[(dimethylamino)methyl]-1H-imidazol-1-yl}-2-fluorophenyl)-3-(trifluoromethyl) -1H-pyrazole-5-carboxamide

IK8, 1-(3-amino-1,2-benzisoxazol-5-yl)-N-(4-{2-[(dimethylamino)methyl]-1H-imidazol-1-yl}-2-fluorophenyl)-3-(trifluoromethyl) -1H-pyrazole-5-carboxamide (C24 H20 F4 N8 O2, 528.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2…

Component
IK8
Formula
C24 H20 F4 N8 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

IK8 in 2 structures; the first of them:

  • 1Z6E · Factor XA in complex with the inhibitor 1-(3'-amino-1,2-benzisoxazol-5'-yl)-n-(4-(2'-((dim… · IK8 A711 · binds LYS96, GLU97, THR98, TYR99, ARG143, GLU146, PHE174, ASP189 and 14 more
  • 1Z6E · Factor xa in complex with the inhibitor 1-(3'-amino-1,2-benzisoxazol… · IK8 A711 · binds LYS96, GLU97, THR98, TYR99, ARG143, GLU146, PHE174, ASP189 and 14 more

Residues it binds most

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

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