GL1X · GenesisL1 explorer

Ligand · 5JU

5JU · N~2~-{[2-chloro-3-(2-methylpyridin-3-yl)-1-benzothiophen-5-yl]carbamoyl}-N-(3-{methyl[(3R)-1-(5H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]amino}propyl)glycinamide

5JU, N~2~-{[2-chloro-3-(2-methylpyridin-3-yl)-1-benzothiophen-5-yl]carbamoyl}-N-(3-{methyl[(3R)-1-(5H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]amino}propyl)glycinamide (C32 H36 Cl N9 O2 S, 646.2 g/mol), in the MolNFT structures on…

Component
5JU
Formula
C32 H36 Cl N9 O2 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

5JU in 2 structures; the first of them:

  • 5MW4 · Crystal structure of Dot1L in complex with inhibitor CPD7… · 5JU A401 · binds SER140, LEU143, VAL144, MET147, ASP161, GLY163, SER164, GLY165 and 16 more
  • 5MW4 · Crystal structure of DOT1L in complex with inhibitor CPD7 [N-(3-(((R)… · 5JU A401 · binds SER140, LEU143, VAL144, MET147, ASP161, GLY163, SER164, GLY165 and 16 more

Residues it binds most

SER 4, VAL 4, GLY 4, PHE 4, ASP 4, LEU 4, ASN 4, GLU 4, LYS 4, MET 4 (residue and the binding sites it lines).

Found with

  • SO4 · Sulfate ion

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