GL1X · GenesisL1 explorer

Ligand · OJW

OJW · (2~{R})-2-[5-[3-chloranyl-2-methyl-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-6-(5-fluoranylfuran-2-yl)thieno[2,3-d]pyrimidin-4-yl]oxy-3-[2-[(2-methylpyrazol-3-yl)methoxy]phenyl]propanoic acid

OJW, (2~{R})-2-[5-[3-chloranyl-2-methyl-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-6-(5-fluoranylfuran-2-yl)thieno[2,3-d]pyrimidin-4-yl]oxy-3-[2-[(2-methylpyrazol-3-yl)methoxy]phenyl]propanoic acid (C38 H38 Cl F N6 O6 S, 761.3 g/mol), in…

Component
OJW
Formula
C38 H38 Cl F N6 O6 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

OJW in 2 structures; the first of them:

  • 6YBJ · Structure of MBP-Mcl-1 in complex with compound 3e · OJW A403 · binds HIS224, ALA227, PHE228, GLY230, MET231, LYS234, LEU235, LEU246 and 9 more
  • 6YBJ · Structure of mbp-mcl-1 in complex with compound 3E · OJW A403 · binds HIS224, ALA227, PHE228, GLY230, MET231, LEU246, VAL249, MET250 and 7 more

Residues it binds most

PHE 2, LEU 2, GLY 2, MET 2, VAL 2, ALA 2, ARG 2, HIS 2, THR 2, LYS 1 (residue and the binding sites it lines).

Found with

  • GLC · alpha-D-glucopyranose
  • CL · Chloride ion

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