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Ligand · QD2

QD2 · 4-[6-methoxy-5-(methylsulfamoyl)pyridin-3-yl]-~{N}-(1-methylpiperidin-4-yl)-2,3-dihydro-1,4-benzoxazine-6-carboxamide

QD2, 4-[6-methoxy-5-(methylsulfamoyl)pyridin-3-yl]-~{N}-(1-methylpiperidin-4-yl)-2,3-dihydro-1,4-benzoxazine-6-carboxamide (C22 H29 N5 O5 S, 475.6 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every…

Component
QD2
Formula
C22 H29 N5 O5 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

QD2 in 2 structures; the first of them:

  • 6ZAA · PI3K Delta in complex with methoxy(methylsulfamoyl)pyridinylN(methylpiperidinyl)dihydroben… · QD2 A4000 · binds MET752, SER754, PRO758, TRP760, ILE777, LYS779, ASP787, TYR813 and 12 more
  • 6ZAA · PI3K delta in complex with METHOXY(METHYLSULFAMOYL)… · QD2 A4000 · binds MET752, PRO758, TRP760, ILE777, LYS779, ASP787, TYR813, ILE825 and 10 more

Residues it binds most

ASP 2, ILE 2, MET 2, VAL 2, SER 2, ASN 2, GLU 2, LYS 2, PRO 2, THR 2 (residue and the binding sites it lines).

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