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Ligand · 92M

92M · 9-cyclopentyl-2-(4-(4-hydroxypiperidin-1-yl)-2-methoxyphenylamino)-5-methyl-8,9-dihydro-5H-pyrimido[4,5-b][1,4]diazepin -6(7H)-one

92M, 9-cyclopentyl-2-(4-(4-hydroxypiperidin-1-yl)-2-methoxyphenylamino)-5-methyl-8,9-dihydro-5H-pyrimido[4,5-b][1,4]diazepin -6(7H)-one (C25 H34 N6 O3, 466.6 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry).…

Component
92M
Formula
C25 H34 N6 O3
Class
ligand
Structures
2
PDB entries
1

Binding sites

92M in 2 structures; the first of them:

  • 3H9F · Crystal Structure of Human Dual Specificity Protein Kinase (TTK) in complex with a… · 92M A809 · binds LYS529, ILE531, GLY532, VAL539, GLN541, ALA551, ILE586, MET602 and 13 more
  • 3H9F · Crystal structure of human dual specificity protein kinase (ttk) in complex with a… · 92M A809 · binds LYS529, ILE531, GLY532, VAL539, GLN541, ALA551, ILE586, MET602 and 13 more

Residues it binds most

ILE 2, ASP 2, GLN 2, GLY 2, MET 2, ALA 2, ASN 2, CYS 2, GLU 2, LEU 2 (residue and the binding sites it lines).

Found with

  • MG · Magnesium ion

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