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Ligand · 5JT

5JT · (3R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-amine

5JT, (3R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-amine (C11 H15 N5, 217.3 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 residues it binds…

Component
5JT
Formula
C11 H15 N5
Class
ligand
Structures
2
PDB entries
1

Binding sites

5JT in 2 structures; the first of them:

  • 5MW3 · Crystal structure of Dot1L in complex with inhibitor CPD1… · 5JT A402 · binds GLY163, VAL185, GLU186, LYS187, ALA188, GLY221, ASP222, PHE223 and 3 more
  • 5MW3 · Crystal structure of DOT1L in complex with inhibitor CPD1 [N6-(2,6… · 5JT A402 · binds GLY163, GLU186, LYS187, GLY221, ASP222, PHE223, PHE245

Residues it binds most

GLY 4, PHE 4, ASP 4, GLU 4, LYS 4, VAL 2, ALA 2, LEU 2 (residue and the binding sites it lines).

Found with

  • 5JJ · N~6~-(2,6-dichlorophenyl)-N~6~-(pent-2-yn-1-yl) quinoline-4,6-diamine
  • TLA · L(+)-tartaric acid

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