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Ligand · N94

N94 · 4-amino-N-(6-chloro-2-fluoro-3-{[(pyrrolidin-1-yl) sulfonyl]amino}phenyl)quinazoline-8-carboxamide

N94, 4-amino-N-(6-chloro-2-fluoro-3-{[(pyrrolidin-1-yl) sulfonyl]amino}phenyl)quinazoline-8-carboxamide (C19 H18 Cl F N6 O3 S, 464.9 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with…

Component
N94
Formula
C19 H18 Cl F N6 O3 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

N94 in 2 structures; the first of them:

  • 6XDF · Crystal structure of IRE1a in complex with G-4100 · N94 A1002 · binds LEU577, HIS579, GLY580, VAL586, ALA597, VAL598, LYS599, GLU612 and 16 more
  • 6XDF · Crystal structure of IRE1A in complex with G-4100 · N94 A1002 · binds HIS579, VAL586, ALA597, VAL598, LYS599, GLU612, VAL613, LEU616 and 9 more

Residues it binds most

ILE 2, LEU 2, VAL 2, ALA 2, GLU 2, ASP 2, CYS 2, HIS 2, LYS 2, PHE 2 (residue and the binding sites it lines).

Found with

  • NA · Sodium ion

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