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Ligand · 4B7

4B7 · 2-({6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl}amino)-N-(4-phenoxyphenyl)-1,3-thiazole-5-carboxamide

4B7, 2-({6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl}amino)-N-(4-phenoxyphenyl)-1,3-thiazole-5-carboxamide (C27 H29 N7 O3 S, 531.6 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries). Every…

Component
4B7
Formula
C27 H29 N7 O3 S
Class
ligand
Structures
4
PDB entries
2

Binding sites

4B7 in 4 structures; the first of them:

  • 4YBK · C-Helix-Out Dasatinib Analog Crystallized with c-Src Kinase · 4B7 A601 · binds LEU273, VAL281, ALA293, LYS295, MET314, VAL323, ILE336, THR338 and 12 more
  • 4YC8 · C-Helix-Out Binding of Dasatinib Analog to c-Abl Kinase · 4B7 A601 · binds LEU248, VAL256, ALA269, LYS271, PHE283, GLU286, ALA287, MET290 and 10 more
  • 4YBK · C-helix-out dasatinib analog crystallized with C-src kinase · 4B7 A601 · binds LEU273, VAL281, ALA293, LYS295, MET314, VAL323, ILE336, THR338 and 12 more
  • 4YC8 · C-helix-out binding of dasatinib analog to C-abl kinase · 4B7 A601 · binds LEU248, VAL256, ALA269, LYS271, PHE283, GLU286, ALA287, MET290 and 10 more

Residues it binds most

LEU 6, PHE 6, ALA 6, MET 6, GLU 6, THR 6, LYS 6, VAL 6, GLY 6, ILE 6 (residue and the binding sites it lines).

Found with

  • EDO · 1,2-ethanediol
  • MES · 2-(N-morpholino)-ethanesulfonic acid

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