Ligand · 0LI
0LI · 3-(imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methyl-N-{4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl) phenyl}benzamide
0LI, 3-(imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methyl-N-{4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl) phenyl}benzamide (C29 H27 F3 N6 O, 532.6 g/mol), in the MolNFT structures on GenesisL1: bound in 8 records (5 PDB entries).…
- Component
- 0LI
- Formula
- C29 H27 F3 N6 O
- Class
- ligand
- Structures
- 8
- PDB entries
- 5
Binding sites
0LI in 8 structures; the first of them:
- 6EG9 · IRAK4 in complex with Ponatinib · 0LI A501 · binds ALA211, GLU233, VAL236, MET237, LEU245, VAL246, TYR262, VAL263 and 11 more
- 6P3D · The co-crystal structure of BRAF(V600E) with ponatinib · 0LI A1001 · binds ILE463, VAL471, ALA481, VAL482, LYS483, GLU501, VAL504, LEU505 and 20 more
- 7OTE · Src Kinase Domain in complex with ponatinib · 0LI A601 · binds LEU276, VAL284, ALA296, ILE297, LYS298, GLU313, VAL316, MET317 and 18 more
- 6EG9 · IRAK4 in complex with ponatinib · 0LI A501 · binds ALA211, GLU233, VAL236, MET237, LEU245, VAL246, TYR262, VAL263 and 11 more
- 6P3D · The co-crystal structure of BRAF(V600E) with ponatinib · 0LI A1001 · binds ILE463, VAL471, ALA481, VAL482, LYS483, GLU501, LEU505, ILE513 and 16 more
- 6TU9 · The ROR1 pseudokinase domain bound to ponatinib · 0LI A801 · binds LEU479, ALA504, LYS506, GLU523, LEU526, MET527, LEU530, ILE535 and 13 more
- 7OTE · Src kinase domain in complex with ponatinib · 0LI A601 · binds VAL284, ALA296, ILE297, LYS298, GLU313, VAL316, MET317, LEU325 and 14 more
- 7WF5 · C-src in complex with ponatinib · 0LI A601 · binds LEU273, VAL281, ALA293, ILE294, LYS295, GLU310, MET314, LEU317 and 17 more
Residues it binds most
LEU 14, VAL 14, ILE 14, MET 12, GLU 14, ALA 14, TYR 12, HIS 14, PHE 14, ASP 14 (residue and the binding sites it lines).
Found with
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