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Ligand · 1NS

1NS · 4-(4-{2-[(methylsulfonyl)amino]ethyl}piperidin-1-yl)thieno[3,2-d]pyrimidine-6-carboxamide

1NS, 4-(4-{2-[(methylsulfonyl)amino]ethyl}piperidin-1-yl)thieno[3,2-d]pyrimidine-6-carboxamide (C15 H21 N5 O3 S2, 383.5 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries). Every binding site with its residues…

Component
1NS
Formula
C15 H21 N5 O3 S2
Class
ligand
Structures
4
PDB entries
2

Binding sites

1NS in 4 structures; the first of them:

  • 4JT9 · Crystal Structure of human SIRT3 with ELT inhibitor 3… · 1NS A402 · binds ALA146, SER149, ILE154, PRO155, ASP156, PHE157, ARG158, TYR165 and 10 more
  • 4ZZI · SIRT1/Activator/Inhibitor Complex · 1NS A702 · binds ALA262, SER265, ILE270, PRO271, ASP272, PHE273, ARG274, TYR280 and 10 more
  • 4JT9 · Crystal structure of human SIRT3 with elt inhibitor 3 [14-(4-{2… · 1NS A402 · binds ALA146, SER149, ILE154, PRO155, ASP156, PHE157, ARG158, TYR165 and 10 more
  • 4ZZI · SIRT1/ACTIVATOR/INHIBITOR complex · 1NS A702 · binds ALA262, SER265, ILE270, PRO271, ASP272, PHE273, ARG274, TYR280 and 10 more

Residues it binds most

PHE 4, ILE 4, ASP 4, ALA 4, ARG 4, ASN 4, GLN 4, HIS 4, PRO 4, SER 4 (residue and the binding sites it lines).

Found with

  • ZN · Zinc ion
  • 4TQ · (3S)-1,3-dimethyl-N-[3-(1,3-oxazol-5-yl)phenyl]-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[2,3-b]pyrazine-4(1H)-carboxamide
  • NA · Sodium ion
  • GOL · Glycerol

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