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Ligand · 58Q

58Q · 6-methoxy-4-methyl-1-(1H-pyrazol-4-ylmethyl)-5-[(4-{[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino}piperidin-1-yl)methyl]-1H-indole-2-carbonitrile

58Q, 6-methoxy-4-methyl-1-(1H-pyrazol-4-ylmethyl)-5-[(4-{[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino}piperidin-1-yl)methyl]-1H-indole-2-carbonitrile (C29 H29 F3 N8 O S, 594.6 g/mol), in the MolNFT structures on GenesisL1…

Component
58Q
Formula
C29 H29 F3 N8 O S
Class
ligand
Structures
1
PDB entries
1

Binding sites

58Q in 1 structure; the first of them:

  • 5DB3 · Menin in complex with MI-574 · 58Q A610 · binds SER155, LEU177, SER178, GLU179, ASP180, HIS181, ALA182, PHE238 and 14 more

Residues it binds most

GLU 1, TYR 1, ALA 1, ASP 1, MET 1, SER 1, VAL 1, CYS 1, GLY 1, HIS 1 (residue and the binding sites it lines).

Found with

  • SO4 · Sulfate ion
  • DMS · Dimethyl sulfoxide
  • PEG · Di(hydroxyethyl)ether
  • PG4 · Tetraethylene glycol

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