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Ligand · I08

I08 · (3R,4S)-N-(4-{trans-2-[4-(2-fluoro-6-hydroxy-3-methoxy-benzoyl)-phenyl]-vinyl}-azepan-3-yl)-isonicotinamide

I08, (3R,4S)-N-(4-{trans-2-[4-(2-fluoro-6-hydroxy-3-methoxy-benzoyl)-phenyl]-vinyl}-azepan-3-yl)-isonicotinamide (C28 H28 F N3 O4, 489.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site…

Component
I08
Formula
C28 H28 F N3 O4
Class
ligand
Structures
2
PDB entries
1

Binding sites

I08 in 2 structures; the first of them:

  • 1SVH · Crystal Structure of Protein Kinase A in Complex with Azepane Derivative 8 · I08 A351 · binds LEU49, GLY50, THR51, GLY52, SER53, PHE54, GLY55, ARG56 and 22 more
  • 1SVH · Crystal structure of protein kinase a in complex with azepane derivative 8 · I08 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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