Ligand · K3Y

K3Y · 1-methyl-3-[(3R)-piperidin-3-yl]-1H-pyrazole-4-carboxamide

K3Y, 1-methyl-3-[(3R)-piperidin-3-yl]-1H-pyrazole-4-carboxamide (C10 H16 N4 O, 208.3 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…

Component: K3Y
Formula: C10 H16 N4 O
Class: ligand
Structures: 5
PDB entries: 3

Binding sites

K3Y in 5 structures; the first of them:

5QKA · PanDDA analysis group deposition of models with modelled events (e.g. bound ligands)… · K3Y A304 · binds TRP28, VAL29, ARG51, THR45, TRP46, GLU47, GLY135
5R8F · PanDDA analysis group deposition INTERLEUKIN-1 BETA -- Fragment Z2377835233 in complex… · K3Y A203 · binds GLU37, GLN38, GLN39, VAL40, VAL41, LEU62, LYS63, GLU64 and 1 more
9F54 · UP1 in complex with EN300-197154 · K3Y A201 · binds THR138, ASP139, ARG140, GLY143
5QKA · Pandda analysis group deposition of models with modelled events (E.G. bound ligands)… · K3Y A304 · binds TRP28, VAL29, THR45, TRP46, GLU47, GLY135
5R8F · Pandda analysis group deposition interleukin-1 beta -- fragment Z2377835233 in complex… · K3Y A203 · binds GLU37, GLN38, GLN39, VAL40, VAL41, LEU62, LYS63, GLU64

Residues it binds most

GLU 4, VAL 4, GLN 2, TRP 2, GLY 3, LYS 2, THR 3, ARG 2, LEU 2, ASP 1 (residue and the binding sites it lines).

Found with

MG · Magnesium ion
CL · Chloride ion
SO4 · Sulfate ion
EDO · 1,2-ethanediol

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