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Ligand · K1S

K1S · N,N-diethyl-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

K1S, N,N-diethyl-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (C10 H15 N5, 205.3 g/mol), in the MolNFT structures on GenesisL1: bound in 5 records (3 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds…

Component
K1S
Formula
C10 H15 N5
Class
ligand
Structures
5
PDB entries
3

Binding sites

K1S in 5 structures; the first of them:

  • 5RK4 · PanDDA analysis group deposition -- Crystal Structure of PHIP in complex with Z56791867 · K1S A1501 · binds PHE1341, VAL1345, TYR1350, TYR1353, SER1392, TYR1395, THR1396, SER1401 and 2 more
  • 5SMF · PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with… · K1S D606 · binds ASP41, ILE42, THR103, ASN104, LEU105, LEU107, GLY189, PHE190 and 3 more
  • 5QJQ · Pandda analysis group deposition of models with modelled events (E.G. bound ligands)… · K1S A304 · binds THR45, TRP46, GLU47, GLY135, TRP28, VAL29, LEU98
  • 5RK4 · Pandda analysis group deposition -- crystal structure of phip in complex with Z56791867 · K1S A1501 · binds PHE1341, VAL1345, TYR1350, TYR1353, SER1392, TYR1395, THR1396, SER1401 and 2 more
  • 5SMF · Pandda analysis group deposition -- crystal structure of SARS-cov-2 NSP14 in complex with… · K1S D606 · binds ASP41, ILE42, THR103, ASN104, LEU105, LEU107, GLY189, PHE190 and 1 more

Residues it binds most

THR 10, TYR 5, GLY 8, LEU 6, TRP 4, ILE 5, SER 3, VAL 5, GLU 4, PHE 4 (residue and the binding sites it lines).

Found with

  • ZN · Zinc ion
  • PO4 · Phosphate ion
  • MG · Magnesium ion
  • CL · Chloride ion
  • EDO · 1,2-ethanediol

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