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Ligand · ZR1

ZR1 · (1S,2S,3S,5R)-3-{[6-(difluoromethyl)-5-fluoro-1,2,3,4-tetrahydroisoquinolin-8-yl]oxy}-5-(4-methyl-7H-pyrrolo[2,3-d]pyrimidin-7-yl)cyclopentane-1,2-diol

ZR1, (1S,2S,3S,5R)-3-{[6-(difluoromethyl)-5-fluoro-1,2,3,4-tetrahydroisoquinolin-8-yl]oxy}-5-(4-methyl-7H-pyrrolo[2,3-d]pyrimidin-7-yl)cyclopentane-1,2-diol (C22 H23 F3 N4 O3, 448.4 g/mol), in the MolNFT structures on GenesisL1: bound in 4…

Component
ZR1
Formula
C22 H23 F3 N4 O3
Class
ligand
Structures
4
PDB entries
2

Binding sites

ZR1 in 4 structures; the first of them:

  • 7MX7 · PRMT5:MEP50 complexed with inhibitor PF-06939999 · ZR1 A701 · binds PRO314, LEU315, LEU319, TYR324, PHE327, GLU328, LYS333, TYR334 and 18 more
  • 7MXN · PRMT5(M420T mutant):MEP50 complexed with inhibitor PF-06939999 · ZR1 A701 · binds PRO314, LEU315, LEU319, TYR324, PHE327, GLU328, LYS333, TYR334 and 19 more
  • 7MX7 · PRMT5:MEP50 complexed with inhibitor pf-06939999 · ZR1 A701 · binds PRO314, LEU315, LEU319, TYR324, PHE327, GLU328, LYS333, TYR334 and 18 more
  • 7MXN · PRMT5(M420T MUTANT):MEP50 complexed with inhibitor pf-06939999 · ZR1 A701 · binds PRO314, LEU315, LEU319, TYR324, PHE327, GLU328, LYS333, TYR334 and 19 more

Residues it binds most

GLU 4, LEU 4, ARG 4, GLY 4, LYS 4, PRO 4, TYR 4, ALA 4, ASN 4, ASP 4 (residue and the binding sites it lines).

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