Ligand · W0O

W0O · 1-(1-methylpiperidin-4-yl)-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine

W0O, 1-(1-methylpiperidin-4-yl)-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine (C23 H24 N6 O, 400.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (2 PDB entries). Every binding site with its residues within 4.5 Å…

Component: W0O
Formula: C23 H24 N6 O
Class: ligand
Structures: 2
PDB entries: 2

Binding sites

W0O in 2 structures; the first of them:

8OTV · Crystal structure of NUDT14 complexed with novel compound · W0O A301 · binds SER33, TRP34, ASP35, VAL146, GLY147, LEU148, TYR17, SER42 and 5 more
8RIY · Human NUDT5 with ibrutinib derivative · W0O AAA301 · binds TRP28, VAL29, VAL49, LYS50, ARG51, ASP60, SER137, ASN138 and 6 more

Residues it binds most

LEU 4, GLY 4, TRP 4, VAL 4, SER 4, ARG 4, ASP 4, ALA 2, ASN 2, CYS 2 (residue and the binding sites it lines).

Found with

MG · Magnesium ion
DMS · Dimethyl sulfoxide

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