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Ligand · 0WM

0WM · (2E)-N-{4-[(3-chloro-4-fluorophenyl)amino]-7-[(3S)-tetrahydrofuran-3-yloxy]quinazolin-6-yl}-4-(dimethylamino)but-2-enamide

0WM, (2E)-N-{4-[(3-chloro-4-fluorophenyl)amino]-7-[(3S)-tetrahydrofuran-3-yloxy]quinazolin-6-yl}-4-(dimethylamino)but-2-enamide (C24 H25 Cl F N5 O3, 485.9 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry).…

Component
0WM
Formula
C24 H25 Cl F N5 O3
Class
ligand
Structures
2
PDB entries
1

Binding sites

0WM in 2 structures; the first of them:

  • 4G5J · Crystal structure of EGFR kinase in complex with BIBW2992 · 0WM A1102 · binds PHE795, TYR801, HIS805, ASN808, ILE809, TYR813, PRO848, HIS988
  • 4G5J · Crystal structure of EGFR kinase in complex with BIBW2992 · 0WM A1102 · binds PHE795, TYR801, HIS805, ASN808, ILE809, TYR813, PRO848, HIS988

Residues it binds most

HIS 4, ASN 4, TYR 2, ARG 2, ASP 2, GLU 2, ILE 2, LEU 2, MET 2, PHE 2 (residue and the binding sites it lines).

Found with

  • 0WN · N-{4-[(3-chloro-4-fluorophenyl)amino]-7-[(3S)-tetrahydrofuran-3-yloxy]quinazolin-6-yl}-4-(dimethylamino)butanamide

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