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Ligand · 7XE

7XE · 4-chloro-2-methyl-5-[(1,2,3,4-tetrahydroisoquinolin-6-yl)amino]pyridazin-3(2H)-one

7XE, 4-chloro-2-methyl-5-[(1,2,3,4-tetrahydroisoquinolin-6-yl)amino]pyridazin-3(2H)-one (C14 H15 Cl N4 O, 290.8 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within…

Component
7XE
Formula
C14 H15 Cl N4 O
Class
ligand
Structures
2
PDB entries
1

Binding sites

7XE in 2 structures; the first of them:

  • 7RWQ · Crystal Structure of BPTF bromodomain in complex with… · 7XE A3001 · binds TRP2824, PRO2825, PHE2826, VAL2830, ASP2834, ALA2835, TYR2838, CYS2877 and 3 more
  • 7RWQ · Crystal structure of bptf bromodomain in complex with 4-chloro-2… · 7XE A3001 · binds TRP2824, PRO2825, PHE2826, VAL2830, ASP2834, ALA2835, TYR2838, TYR2880 and 2 more

Residues it binds most

PHE 2, TYR 2, ALA 2, ASN 2, ASP 2, PRO 2, TRP 2, VAL 2, CYS 1 (residue and the binding sites it lines).

Found with

  • CA · Calcium ion

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