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Ligand · OK2

OK2 · (2~{R})-2-[5-[3-chloranyl-2-methyl-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-6-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxy-3-[2-(pyrazin-2-ylmethoxy)phenyl]propanoic acid

OK2, (2~{R})-2-[5-[3-chloranyl-2-methyl-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-6-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxy-3-[2-(pyrazin-2-ylmethoxy)phenyl]propanoic acid (C40 H38 Cl F N6 O5 S, 769.3 g/mol), in the MolNFT…

Component
OK2
Formula
C40 H38 Cl F N6 O5 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

OK2 in 2 structures; the first of them:

  • 6YBK · Structure of MBP-Mcl-1 in complex with compound 4d · OK2 A403 · binds HIS224, ALA227, PHE228, GLY230, MET231, LEU235, LEU246, VAL249 and 9 more
  • 6YBK · Structure of mbp-mcl-1 in complex with compound 4D · OK2 A403 · binds HIS224, ALA227, PHE228, MET231, LEU235, LEU246, VAL249, MET250 and 8 more

Residues it binds most

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

Found with

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

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