GL1X · GenesisL1 explorer

Ligand · JDA

JDA · 5-methyl-2-(2-propan-2-ylphenyl)-~{N}-[[4-(1,2,3-triazol-1-yl)phenyl]methyl]pyrimidin-4-amine

JDA, 5-methyl-2-(2-propan-2-ylphenyl)-~{N}-[[4-(1,2,3-triazol-1-yl)phenyl]methyl]pyrimidin-4-amine (C23 H24 N6, 384.5 g/mol), in the MolNFT structures on GenesisL1: bound in 3 records (3 PDB entries). Every binding site with its residues…

Component
JDA
Formula
C23 H24 N6
Class
ligand
Structures
3
PDB entries
3

Binding sites

JDA in 3 structures; the first of them:

  • 7ZH4 · USP1 bound to ML323 and ubiquitin conjugated to FANCD2 (focused refinement) · JDA D1001 · binds ASN93, LEU96, GLN97, TYR100, PHE101, LEU152, VAL156, LEU159 and 11 more
  • 8A9K · Cryo-EM structure of USP1-UAF1 bound to FANCI and mono-ubiquitinated FANCD2 with ML323… · JDA D1001 · binds LEU86, ASN93, LEU96, GLN97, TYR100, LEU152, VAL156, LEU159 and 11 more
  • 9FCJ · USP1 bound to ML323 and ubiquitin conjugated to FANCD2 (ordered subset, focused… · JDA D1001 · binds LEU86, ASN93, LEU96, GLN97, TYR100, PHE101, LEU152, VAL156 and 14 more

Residues it binds most

LEU 3, VAL 3, PHE 3, TYR 3, GLN 3, ASN 3, ASP 3, GLU 3, SER 3 (residue and the binding sites it lines).

Found with

  • ZN · Zinc ion

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