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Ligand · O1R

O1R · (2M)-6-chloro-2-(5H-pyrrolo[3,2-d]pyrimidin-5-yl) pyridine-3-carbonitrile

O1R, (2M)-6-chloro-2-(5H-pyrrolo[3,2-d]pyrimidin-5-yl) pyridine-3-carbonitrile (C12 H6 Cl N5, 255.7 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within 4.5 Å, the…

Component
O1R
Formula
C12 H6 Cl N5
Class
ligand
Structures
2
PDB entries
1

Binding sites

O1R in 2 structures; the first of them:

  • 7UP5 · Crystal structure of C-terminal Domain of MSK1 in complex with covalently bound… · O1R A901 · binds LEU432, CYS440, ALA453, LYS455, VAL482, MET498, GLU499, LEU500 and 4 more
  • 7UP5 · Crystal structure of C-terminal domain of MSK1 in complex with covalently bound… · O1R A901 · binds CYS440, LYS455, VAL482, MET498, GLU499, LEU500, LEU501, LEU551 and 2 more

Residues it binds most

LEU 4, ASP 4, CYS 4, GLU 4, ILE 4, LYS 4, MET 4, VAL 4, ALA 3 (residue and the binding sites it lines).

Found with

  • IOD · Iodide ion

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