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Ligand · 4A9

4A9 · 2-({6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl}amino)-N-(3-{[3-(trifluoromethyl)benzoyl]amino}phenyl)-1,3-thiazole-5-carboxamide

4A9, 2-({6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl}amino)-N-(3-{[3-(trifluoromethyl)benzoyl]amino}phenyl)-1,3-thiazole-5-carboxamide (C29 H29 F3 N8 O3 S, 626.6 g/mol), in the MolNFT structures on GenesisL1: bound in 2…

Component
4A9
Formula
C29 H29 F3 N8 O3 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

4A9 in 2 structures; the first of them:

  • 4YBJ · Type II Dasatinib Analog Crystallized with c-Src Kinase · 4A9 A601 · binds VAL271, LEU273, VAL281, ALA293, LYS295, GLU310, VAL313, MET314 and 18 more
  • 4YBJ · Type II dasatinib analog crystallized with C-src kinase · 4A9 A601 · binds VAL271, LEU273, VAL281, ALA293, LYS295, GLU310, VAL313, MET314 and 18 more

Residues it binds most

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

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