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Ligand · 9K6

9K6 · 5-[[(2~{S})-2-methyl-1,4-diazepan-1-yl]sulfonyl]isoquinoline

9K6, 5-[[(2~{S})-2-methyl-1,4-diazepan-1-yl]sulfonyl]isoquinoline (C15 H19 N3 O2 S, 305.4 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 it…

Component
9K6
Formula
C15 H19 N3 O2 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

9K6 in 2 structures; the first of them:

  • 5M75 · Cocrystal structure of cAMP-dependent Protein Kinase (PKA) in complex with a (S)-methyl… · 9K6 A402 · binds LEU49, GLY50, THR51, VAL57, ALA70, MET120, GLU121, TYR122 and 8 more
  • 5M75 · Cocrystal structure of camp-dependent protein kinase (PKA) in complex with a (S)-methyl… · 9K6 A402 · binds LEU49, GLY50, THR51, VAL57, ALA70, MET120, GLU121, TYR122 and 8 more

Residues it binds most

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

Found with

  • DMS · Dimethyl sulfoxide

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