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Ligand · 0N6

0N6 · (R)-(3-(3-cyanophenyl)-1-oxo-1-(pyrrolidin-1-yl)propan-2-yl)-1,2,3,4-tetrahydroisoquinoline-6-sulfonamide

0N6, (R)-(3-(3-cyanophenyl)-1-oxo-1-(pyrrolidin-1-yl)propan-2-yl)-1,2,3,4-tetrahydroisoquinoline-6-sulfonamide (C23 H26 N4 O3 S, 438.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with…

Component
0N6
Formula
C23 H26 N4 O3 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

0N6 in 2 structures; the first of them:

  • 4E47 · SET7/9 in complex with inhibitor (R)-(3-(3-cyanophenyl)-1-oxo-1-(pyrrolidin-1-yl)propan-2… · 0N6 A402 · binds TYR245, HIS252, VAL255, ASP256, ASN263, GLY264, ASN265, THR266 and 7 more
  • 4E47 · SET7/9 in complex with inhibitor (R)-(3-(3-cyanophenyl)-1-oxo-1… · 0N6 A402 · binds TYR245, HIS252, VAL255, ASP256, ASN263, GLY264, ASN265, THR266 and 7 more

Residues it binds most

TYR 8, ASN 8, GLY 8, VAL 8, HIS 8, ASP 8, LEU 8, SER 8, THR 8, TRP 4 (residue and the binding sites it lines).

Found with

  • SAM · S-adenosylmethionine
  • SO4 · Sulfate ion
  • BME · Beta-mercaptoethanol

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