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Ligand · 3IF

3IF · N-[(3S)-7-(2-cyclopropylethynyl)-5-methyl-4-oxidanylidene-2,3-dihydro-1,5-benzoxazepin-3-yl]-5-(phenylmethyl)-4H-1,2,4-triazole-3-carboxamide

3IF, N-[(3S)-7-(2-cyclopropylethynyl)-5-methyl-4-oxidanylidene-2,3-dihydro-1,5-benzoxazepin-3-yl]-5-(phenylmethyl)-4H-1,2,4-triazole-3-carboxamide (C25 H23 N5 O3, 441.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1…

Component
3IF
Formula
C25 H23 N5 O3
Class
ligand
Structures
2
PDB entries
1

Binding sites

3IF in 2 structures; the first of them:

  • 7FCZ · Crystal Structure of human RIPK1 kinase domain in complex with a novel inhibitor · 3IF A301 · binds VAL31, ILE43, MET44, LYS45, MET67, LEU70, VAL75, VAL76 and 15 more
  • 7FCZ · Crystal structure of human RIPK1 kinase domain in complex with a novel inhibitor · 3IF A301 · binds VAL31, ILE43, LYS45, MET67, LEU70, VAL75, VAL76, LEU78 and 12 more

Residues it binds most

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

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