Ligand · 8JC
8JC · N-[3-[[2-[[4-(4-ethanoylpiperazin-1-yl)-2-methoxy-phenyl]amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]prop-2-enamide
8JC, N-[3-[[2-[[4-(4-ethanoylpiperazin-1-yl)-2-methoxy-phenyl]amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]prop-2-enamide (C27 H28 F3 N7 O3, 555.6 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries).…
- Component
- 8JC
- Formula
- C27 H28 F3 N7 O3
- Class
- ligand
- Structures
- 4
- PDB entries
- 2
Binding sites
8JC in 4 structures; the first of them:
- 5XDK · Crystal structure of EGFR 696-1022 T790M in complex with CO-1686 · 8JC A1101 · binds LEU718, GLY719, VAL726, ALA743, MET790, GLN791, LEU792, MET793 and 7 more
- 5XDL · Crystal structure of EGFR 696-1022 L858R in complex with CO-1686 · 8JC A1101 · binds LYS716, LEU718, GLY719, VAL726, ALA743, LYS745, THR790, GLN791 and 9 more
- 5XDK · Crystal structure of EGFR 696-1022 T790M in complex with co-1686 · 8JC A1101 · binds LEU718, GLY719, VAL726, ALA743, MET790, GLN791, LEU792, MET793 and 6 more
- 5XDL · Crystal structure of EGFR 696-1022 L858R in complex with co-1686 · 8JC A1101 · binds LEU718, GLY719, VAL726, ALA743, THR790, GLN791, LEU792, MET793 and 5 more
Residues it binds most
LEU 4, GLY 4, MET 4, ALA 4, ARG 4, CYS 4, GLN 4, PRO 4, THR 3, VAL 4 (residue and the binding sites it lines).
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