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Ligand · H52

H52 · (S)-2-methyl-1-[(4-methyl-5-isoquinoline)sulfonyl]-homopiperazine

H52, (S)-2-methyl-1-[(4-methyl-5-isoquinoline)sulfonyl]-homopiperazine (C16 H21 N3 O2 S, 319.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within 4.5 Å, the residues…

Component
H52
Formula
C16 H21 N3 O2 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

H52 in 2 structures; the first of them:

  • 5M6V · Cocrystal structure of cAMP-dependent Protein Kinase (PKA) in complex with a double… · H52 A401 · binds LEU49, PHE54, VAL57, ALA70, MET120, GLU121, TYR122, VAL123 and 7 more
  • 5M6V · Cocrystal structure of camp-dependent protein kinase (PKA) in complex with a double… · H52 A401 · binds LEU49, PHE54, VAL57, ALA70, MET120, GLU121, TYR122, VAL123 and 7 more

Residues it binds most

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

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