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Ligand · 9HR

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

9HR, 4-[2-[5-(dimethylamino)pentylamino]-8-[[(2~{S})-1-oxidanylpropan-2-yl]amino]quinazolin-6-yl]-5-ethyl-2-fluoranyl-phenol (C26 H36 F N5 O2, 469.6 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every…

Component
9HR
Formula
C26 H36 F N5 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

9HR in 2 structures; the first of them:

  • 7Q7W · JAK2 in complex with 4-(2-{[5-(dimethylamino)pentyl]amino}-8-{[(2S)-1-hydroxypropan-2-yl]a… · 9HR A4000 · binds LEU855, GLY856, LYS857, VAL863, ALA880, VAL881, LYS882, GLU898 and 18 more
  • 7Q7W · JAK2 in complex with 4-(2-{[5-(DIMETHYLAMINO)PENTYL]AMINO}-8-{[(2S)-1… · 9HR A4000 · binds LEU855, GLY856, LYS857, VAL863, ALA880, VAL881, LYS882, GLU898 and 18 more

Residues it binds most

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

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