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Ligand · 1HW

1HW · 1-{(3S,3aS)-3-[3-fluoro-4-(trifluoromethoxy)phenyl]-8-methoxy-3,3a,4,5-tetrahydro-2H-benzo[g]indazol-2-yl}-2-hydroxyethanone

1HW, 1-{(3S,3aS)-3-[3-fluoro-4-(trifluoromethoxy)phenyl]-8-methoxy-3,3a,4,5-tetrahydro-2H-benzo[g]indazol-2-yl}-2-hydroxyethanone (C21 H18 F4 N2 O4, 438.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry).…

Component
1HW
Formula
C21 H18 F4 N2 O4
Class
ligand
Structures
2
PDB entries
1

Binding sites

1HW in 2 structures; the first of them:

  • 4ITI · Crystal structure of RIP1 kinase in complex with necrostatin-3 analog · 1HW A301 · binds LYS45, ALA64, MET67, ASN68, LEU70, VAL75, VAL76, LEU78 and 14 more
  • 4ITI · Crystal structure of RIP1 kinase in complex with necrostatin-3 analog · 1HW A301 · binds LYS45, ALA64, MET67, ASN68, LEU70, VAL75, VAL76, LEU78 and 14 more

Residues it binds most

LEU 4, VAL 4, ALA 4, ILE 4, MET 4, ASN 4, ASP 4, HIS 4, LYS 4, PHE 4 (residue and the binding sites it lines).

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