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Ligand · 1IY

1IY · N,N-dimethyl-3-[5-(2-methylsulfonyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)indol-1-yl]propan-1-amine

1IY, N,N-dimethyl-3-[5-(2-methylsulfonyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)indol-1-yl]propan-1-amine (C20 H23 N5 O2 S, 397.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its…

Component
1IY
Formula
C20 H23 N5 O2 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

1IY in 2 structures; the first of them:

  • 7F5E · Crystal structure of BPTF-BRD with ligand DC-BPi-11 bound · 1IY A201 · binds TRP91, PRO92, PHE93, VAL97, ASP98, ASP101, TYR105, CYS144 and 3 more
  • 7F5E · Crystal structure of bptf-brd with ligand dc-bpi-11 bound · 1IY A201 · binds TRP91, PRO92, PHE93, VAL97, ASP98, ASP101, CYS144, TYR147 and 2 more

Residues it binds most

ASP 2, PHE 2, TYR 2, ASN 2, CYS 2, PRO 2, TRP 2, VAL 2 (residue and the binding sites it lines).

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