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Ligand · 38M

38M · 3-(3-chlorophenyl)-2-({(1S)-1-[(6S)-2,8-diazaspiro[5.5]undec-2-ylcarbonyl]pentyl}sulfanyl)quinazolin-4(3H)-one

38M, 3-(3-chlorophenyl)-2-({(1S)-1-[(6S)-2,8-diazaspiro[5.5]undec-2-ylcarbonyl]pentyl}sulfanyl)quinazolin-4(3H)-one (C29 H35 Cl N4 O2 S, 539.1 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding…

Component
38M
Formula
C29 H35 Cl N4 O2 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

38M in 2 structures; the first of them:

  • 3F9N · Crystal structure of chk1 kinase in complex with inhibitor 38 · 38M A324 · binds PHE93, ILE96, PRO98, ASP99, PRO133, GLU134, PRO172, TYR173 and 9 more
  • 3F9N · Crystal structure of CHK1 kinase in complex with inhibitor 38 · 38M A324 · binds PHE93, ILE96, PRO98, ASP99, PRO133, GLU134, PRO172, TYR173 and 9 more

Residues it binds most

PRO 2, GLU 2, ASP 2, ALA 2, GLY 2, ILE 2, LEU 2, LYS 2, PHE 2, TRP 2 (residue and the binding sites it lines).

Found with

  • SO4 · Sulfate ion

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