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Ligand · I04

I04 · N-{(3R,4R)-4-[4-(2-fluoro-6-hydroxy-3-methoxy-benzoyl)-benzoylamino]-azepan-3-yl}isonicotinamide

I04, N-{(3R,4R)-4-[4-(2-fluoro-6-hydroxy-3-methoxy-benzoyl)-benzoylamino]-azepan-3-yl}isonicotinamide (C27 H27 F N4 O5, 506.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its…

Component
I04
Formula
C27 H27 F N4 O5
Class
ligand
Structures
2
PDB entries
1

Binding sites

I04 in 2 structures; the first of them:

  • 1SVG · Crystal Structure of Protein Kinase A in Complex with Azepane Derivative 4 · I04 A351 · binds LEU49, GLY50, THR51, GLY52, SER53, PHE54, GLY55, ARG56 and 22 more
  • 1SVG · Crystal structure of protein kinase a in complex with azepane derivative 4 · I04 A351 · binds LEU49, GLY50, THR51, GLY52, SER53, PHE54, GLY55, ARG56 and 22 more

Residues it binds most

GLU 2, GLY 2, LEU 2, PHE 2, THR 2, VAL 2, ALA 2, ARG 2, ASN 2, ASP 2 (residue and the binding sites it lines).

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