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Ligand · PKA

PKA · N-[(2R)-butan-2-yl]-1-(2-chlorophenyl)-N-methylisoquinoline-3-carboxamide

PKA, N-[(2R)-butan-2-yl]-1-(2-chlorophenyl)-N-methylisoquinoline-3-carboxamide (C21 H21 Cl N2 O, 352.9 g/mol), in the MolNFT structures on GenesisL1: bound in 6 records (3 PDB entries). Every binding site with its residues within 4.5 Å…

Component
PKA
Formula
C21 H21 Cl N2 O
Class
ligand
Structures
6
PDB entries
3

Binding sites

PKA in 6 structures; the first of them:

  • 2MGY · Solution structure of the mitochondrial translocator protein (TSPO) in complex with its… · PKA A201 · binds GLY19, GLY22, ALA23, VAL26, LYS39, HIS43, PRO44, ARG46 and 13 more
  • 2N02 · Solution structure of the A147T variant of the mitochondrial translocator protein (tspo)… · PKA A201 · binds GLY19, GLY22, ALA23, VAL26, LYS39, HIS43, PRO44, ARG46 and 12 more
  • 4RYI · Crystal structure of BcTSPO/PK11195 complex · PKA A201 · binds SER21, SER22, ILE47, TRP51, PHE55, ASN87, PHE90, SER91 and 10 more
  • 2MGY · Solution structure of the mitochondrial translocator protein (tspo) in complex with its… · PKA A201 · binds GLY19, GLY22, ALA23, VAL26, LYS39, HIS43, PRO44, ARG46 and 13 more
  • 2N02 · Solution structure of the A147T variant of the mitochondrial translocator protein (tspo)… · PKA A201 · binds GLY19, GLY22, ALA23, VAL26, LYS39, HIS43, PRO44, ARG46 and 12 more
  • 4RYI · Crystal structure of BCTSPO/PK11195 complex · PKA A201 · binds SER21, SER22, ILE47, TRP51, PHE55, ASN87, PHE90, SER91 and 10 more

Residues it binds most

TRP 8, LEU 8, PHE 8, ALA 8, SER 4, ILE 8, ASN 8, GLY 4, VAL 8, ASP 6 (residue and the binding sites it lines).

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