Ligand · 039
039 · 2-((9H-purin-6-ylthio)methyl)-5-chloro-3-(2-methoxyphenyl)quinazolin-4(3H)-one
039, 2-((9H-purin-6-ylthio)methyl)-5-chloro-3-(2-methoxyphenyl)quinazolin-4(3H)-one (C21 H15 Cl N6 O2 S, 450.9 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries). Every binding site with its residues within…
- Component
- 039
- Formula
- C21 H15 Cl N6 O2 S
- Class
- ligand
- Structures
- 4
- PDB entries
- 2
Binding sites
039 in 4 structures; the first of them:
- 2CHW · A pharmacological map of the PI3-K family defines a role for p110 alpha in signaling: The… · 039 A2093 · binds LYS802, VAL803, MET804, PRO810, LEU811, TRP812, ILE831, TYR867 and 10 more
- 2WXF · The crystal structure of the murine class IA PI 3-kinase p110delta in complex with PIK-39. · 039 A1500 · binds THR750, PHE751, MET752, PRO758, LEU759, TRP760, ILE777, TYR813 and 11 more
- 2CHW · A pharmacological MAP of the PI3-K family defines a role for P110 alpha in signaling: the… · 039 A2093 · binds LYS802, VAL803, MET804, PRO810, LEU811, TRP812, ILE831, TYR867 and 10 more
- 2WXF · The crystal structure of the murine class ia pi 3-kinase P110DELTA in complex with pik-39. · 039 A1500 · binds THR750, PHE751, MET752, PRO758, LEU759, TRP760, ILE777, TYR813 and 11 more
Residues it binds most
ILE 4, MET 4, THR 4, VAL 4, GLU 4, LEU 4, LYS 2, PHE 2, PRO 4, TRP 4 (residue and the binding sites it lines).
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