GL1X · GenesisL1 explorer

Ligand · 39I

39I · ~{N}4-(3-cyclopropyl-1~{H}-pyrazol-5-yl)-~{N}2-(phenylmethyl)thieno[3,2-d]pyrimidine-2,4-diamine

39I, ~{N}4-(3-cyclopropyl-1~{H}-pyrazol-5-yl)-~{N}2-(phenylmethyl)thieno[3,2-d]pyrimidine-2,4-diamine (C19 H18 N6 S, 362.5 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries). Every binding site with its…

Component
39I
Formula
C19 H18 N6 S
Class
ligand
Structures
4
PDB entries
2

Binding sites

39I in 4 structures; the first of them:

  • 7OY5 · Crystal structure of GSK3Beta in complex with ARN25068 · 39I A401 · binds ILE62, PHE67, VAL70, ALA83, VAL110, LEU132, ASP133, TYR134 and 9 more
  • 7OY6 · Crystal structure of human DYRK1A in complex with ARN25068 · 39I C501 · binds ILE165, GLY166, LYS167, PHE170, VAL173, ALA186, VAL222, PHE238 and 10 more
  • 7OY5 · Crystal structure of GSK3BETA in complex with ARN25068 · 39I A401 · binds ILE62, VAL70, ALA83, LEU132, ASP133, TYR134, VAL135, PRO136 and 6 more
  • 7OY6 · Crystal structure of human DYRK1A in complex with ARN25068 · 39I C501 · binds GLY166, LYS167, PHE170, VAL173, ALA186, PHE238, GLU239, LEU241 and 7 more

Residues it binds most

VAL 6, LEU 6, GLU 6, ALA 6, ASN 6, ASP 6, PHE 4, TYR 6, ILE 5, ARG 4 (residue and the binding sites it lines).

Found with

  • CL · Chloride ion

GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.