Ligand · K1G

K1G · N,1-dimethyl-N-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine

K1G, N,1-dimethyl-N-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine (C10 H15 N5, 205.3 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (3 PDB entries). Every binding site with its residues within 4.5 Å, the residues it…

Component: K1G
Formula: C10 H15 N5
Class: ligand
Structures: 4
PDB entries: 3

Binding sites

K1G in 4 structures; the first of them:

5RGR · PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen -- Crystal… · K1G A403 · binds PHE103, VAL104, ARG105, ASP176, GLU178
5QJM · Pandda analysis group deposition of models with modelled events (E.G. bound ligands)… · K1G A303 · binds TRP46, GLU47, GLY135, LEU136, TRP28, VAL29, ARG51, ASP164
5RGR · Pandda analysis group deposition SARS-cov-2 main protease fragment screen -- crystal… · K1G A403 · binds PHE103, VAL104, ARG105, ASP176, GLU178
5S4T · Tubulin-Z328695024-complex · K1G B505 · binds THR179, TYR202, VAL238, CYS241, LEU255, ASN258, MET259, ALA316 and 4 more

Residues it binds most

TRP 4, ARG 6, GLU 6, VAL 6, ASN 3, ASP 5, GLY 4, LEU 3, ALA 1, ILE 1 (residue and the binding sites it lines).

Found with

MG · Magnesium ion
DMS · Dimethyl sulfoxide
ACP · Phosphomethylphosphonic acid adenylate ester
GDP · Guanosine-5'-diphosphate
GTP · Guanosine-5'-triphosphate
CA · Calcium ion
CL · Chloride ion
EDO · 1,2-ethanediol
MES · 2-(N-morpholino)-ethanesulfonic acid

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