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Ligand · 7KA

7KA · 4-azanyl-6-[[(1~{S})-1-(4-oxidanylidene-3-phenyl-pyrrolo[2,1-f][1,2,4]triazin-2-yl) ethyl]amino]pyrimidine-5-carbonitrile

7KA, 4-azanyl-6-[[(1~{S})-1-(4-oxidanylidene-3-phenyl-pyrrolo[2,1-f][1,2,4]triazin-2-yl) ethyl]amino]pyrimidine-5-carbonitrile (C19 H16 N8 O, 372.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every…

Component
7KA
Formula
C19 H16 N8 O
Class
ligand
Structures
2
PDB entries
1

Binding sites

7KA in 2 structures; the first of them:

  • 5M6U · Human PI3KDELTA in complex with LASW1579 · 7KA A1101 · binds PHE751, MET752, PRO758, TRP760, ILE777, TYR813, ILE825, GLU826 and 7 more
  • 5M6U · Human PI3KDELTA in complex with LASW1579 · 7KA A1101 · binds MET752, PRO758, TRP760, TYR813, ILE825, GLU826, VAL827, VAL828 and 4 more

Residues it binds most

ILE 2, MET 2, VAL 2, ASP 2, GLU 2, PRO 2, SER 2, TRP 2, TYR 2, PHE 1 (residue and the binding sites it lines).

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