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Ligand · NTQ

NTQ · (1~{S})-2,2-bis(fluoranyl)-~{N}-[4-(3-methyl-6-oxidanylidene-2,7-dihydropyrazolo[3,4-b]pyridin-4-yl) cyclohexyl]cyclopropane-1-carboxamide

NTQ, (1~{S})-2,2-bis(fluoranyl)-~{N}-[4-(3-methyl-6-oxidanylidene-2,7-dihydropyrazolo[3,4-b]pyridin-4-yl) cyclohexyl]cyclopropane-1-carboxamide (C17 H20 F2 N4 O2, 350.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1…

Component
NTQ
Formula
C17 H20 F2 N4 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

NTQ in 2 structures; the first of them:

  • 6TPF · Fragment-based discovery of pyrazolopyridones as JAK1 inhibitors with excellent subtype… · NTQ A1201 · binds LEU881, GLY882, GLU883, GLY884, PHE886, GLY887, LYS888, VAL889 and 15 more
  • 6TPF · Fragment-based discovery of pyrazolopyridones as JAK1 inhibitors with excellent subtype… · NTQ A1201 · binds LEU881, GLY882, GLU883, GLY884, GLY887, LYS888, VAL889, ALA906 and 10 more

Residues it binds most

GLY 4, LEU 4, GLU 4, LYS 4, PHE 4, VAL 4, ALA 4, ASN 4, ASP 4, MET 4 (residue and the binding sites it lines).

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