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Ligand · R6N

R6N · 4-[2-(butylamino)-5-[4-[(4-methylpiperazin-1-yl) methyl]phenyl]pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexan-1-ol

R6N, 4-[2-(butylamino)-5-[4-[(4-methylpiperazin-1-yl) methyl]phenyl]pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexan-1-ol (C28 H40 N6 O, 476.7 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with…

Component
R6N
Formula
C28 H40 N6 O
Class
ligand
Structures
2
PDB entries
1

Binding sites

R6N in 2 structures; the first of them:

  • 7AB2 · Crystal structure of MerTK kinase domain in complex with UNC2025 · R6N A901 · binds LEU593, VAL601, ALA617, ILE650, LEU671, PRO672, PHE673, MET674 and 5 more
  • 7AB2 · Crystal structure of mertk kinase domain in complex with UNC2025 · R6N A901 · binds VAL601, ALA617, LEU671, PRO672, PHE673, MET674, LYS675, ASP678 and 1 more

Residues it binds most

MET 2, ALA 2, LEU 2, ASP 2, LYS 2, PHE 2, PRO 2, VAL 2, ARG 1, ILE 1 (residue and the binding sites it lines).

Found with

  • CL · Chloride ion
  • DMS · Dimethyl sulfoxide

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