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Ligand · 3IU

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

3IU, N-[(3S)-5-methyl-7-[2-(oxan-4-yl)ethynyl]-4-oxidanylidene-2,3-dihydro-1,5-benzoxazepin-3-yl]-5-(phenylmethyl)-4H-1,2,4-triazole-3-carboxamide (C27 H27 N5 O4, 485.5 g/mol), in the MolNFT structures on GenesisL1: bound in 1 record (1…

Component
3IU
Formula
C27 H27 N5 O4
Class
ligand
Structures
1
PDB entries
1

Binding sites

3IU in 1 structure; the first of them:

  • 7FD0 · Crystal structure of human RIPK1 kinase domain in complex with a novel inhibitor · 3IU A401 · binds ASP24, SER25, VAL31, ILE43, LYS45, MET67, LEU70, VAL75 and 16 more

Residues it binds most

LEU 2, VAL 2, ILE 2, MET 2, ASP 2, SER 2, ALA 2, HIS 2, LYS 2, PHE 2 (residue and the binding sites it lines).

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