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Ligand · 9I2

9I2 · 4-[2-azanyl-8-[[(2~{S})-1-oxidanylpropan-2-yl]amino]quinazolin-6-yl]-5-ethyl-2-fluoranyl-phenol

9I2, 4-[2-azanyl-8-[[(2~{S})-1-oxidanylpropan-2-yl]amino]quinazolin-6-yl]-5-ethyl-2-fluoranyl-phenol (C19 H21 F N4 O2, 356.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its…

Component
9I2
Formula
C19 H21 F N4 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

9I2 in 2 structures; the first of them:

  • 7Q7L · JAK2 in complex with 4-(2-amino-8-{[(2S)-1-hydroxypropan-2-yl]amino}quinazolin-6-yl)-5-eth… · 9I2 A4000 · binds LEU855, GLY856, LYS857, GLY858, VAL863, ALA880, LYS882, GLU898 and 14 more
  • 7Q7L · JAK2 in complex with 4-(2-amino-8-{[(2S)-1-hydroxypropan-2… · 9I2 A4000 · binds LEU855, GLY856, LYS857, GLY858, VAL863, ALA880, LYS882, GLU898 and 14 more

Residues it binds most

LEU 2, GLY 2, GLU 2, LYS 2, VAL 2, ALA 2, ARG 2, ASN 2, ASP 2, MET 2 (residue and the binding sites it lines).

Found with

  • GOL · Glycerol

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