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Ligand · C87

C87 · Momelotinib

C87, Momelotinib (C23 H22 N6 O2, 414.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (2 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most and the ligands found with it.

Component
C87
Formula
C23 H22 N6 O2
Class
ligand
Structures
2
PDB entries
2

Binding sites

C87 in 2 structures; the first of them:

  • 6FDZ · Unc-51-like kinase 3 (ULK3) in complex with momelotinib · C87 U301 · binds LEU20, SER22, GLY23, ALA26, THR27, VAL28, ALA42, LYS44 and 8 more
  • 7NNS · Crystal structure of the ACVR1 (ALK2) kinase in complex with the compound momelotinib · C87 B507 · binds VAL214, ALA233, LYS235, LEU263, HIS284, TYR285, HIS286, GLY289 and 5 more

Residues it binds most

LEU 2, LYS 2, ALA 2, GLY 2, ASP 1, HIS 1, PHE 1, VAL 2, ARG 1, CYS 1 (residue and the binding sites it lines).

Found with

  • SO4 · Sulfate ion
  • EDO · 1,2-ethanediol

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