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Ligand · 59X

59X · 4-[4-(5,5-dimethyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]-6-(2-fluoroethyl)thieno[2,3-d]pyrimidine

59X, 4-[4-(5,5-dimethyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]-6-(2-fluoroethyl)thieno[2,3-d]pyrimidine (C17 H22 F N5 S2, 379.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with…

Component
59X
Formula
C17 H22 F N5 S2
Class
ligand
Structures
2
PDB entries
1

Binding sites

59X in 2 structures; the first of them:

  • 5DDD · menin in complex with MI-836 · 59X A601 · binds SER155, LEU177, SER178, GLU179, ASP180, HIS181, ALA182, PHE238 and 8 more
  • 5DDD · Menin in complex with mi-836 · 59X A601 · binds SER155, LEU177, SER178, GLU179, ASP180, HIS181, ALA182, PHE238 and 8 more

Residues it binds most

TYR 2, GLU 2, MET 2, SER 2, ALA 2, ASN 2, ASP 2, CYS 2, HIS 2, LEU 2 (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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