GL1X · GenesisL1 explorer

Ligand · M39

M39 · 6-{[(3-fluorophenyl)methyl]sulfanyl}-5-(2-methylphenyl)-2,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one

M39, 6-{[(3-fluorophenyl)methyl]sulfanyl}-5-(2-methylphenyl)-2,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one (C19 H15 F N4 O S, 366.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with…

Component
M39
Formula
C19 H15 F N4 O S
Class
ligand
Structures
2
PDB entries
1

Binding sites

M39 in 2 structures; the first of them:

  • 5TEI · Structure of human ALDH1A1 with inhibitor CM039 · M39 A604 · binds SER121, PHE171, VAL174, MET175, TRP178, HIS293, GLY294, TYR297 and 7 more
  • 5TEI · Structure of human ALDH1A1 with inhibitor CM039 · M39 A604 · binds SER121, PHE171, MET175, HIS293, GLY294, TYR297, CYS303, TYR457 and 3 more

Residues it binds most

GLY 2, PHE 2, TYR 2, CYS 2, VAL 2, HIS 2, MET 2, SER 2, ILE 1, TRP 1 (residue and the binding sites it lines).

Found with

  • NAI · 1,4-dihydronicotinamide adenine dinucleotide
  • YB · Ytterbium (III) ion
  • CL · Chloride ion

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