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Ligand · XWJ

XWJ · N-[3-(acetylamino)-4-methylphenyl]-3-(4-amino-2-methylphenyl)-1-methyl-1H-indazole-5-carboxamide

XWJ, N-[3-(acetylamino)-4-methylphenyl]-3-(4-amino-2-methylphenyl)-1-methyl-1H-indazole-5-carboxamide (C25 H25 N5 O2, 427.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its…

Component
XWJ
Formula
C25 H25 N5 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

XWJ in 2 structures; the first of them:

  • 7L99 · Crystal structure of BRDT bromodomain 2 in complex with CDD-1302 · XWJ A800 · binds TRP292, PRO293, PHE294, VAL298, LEU303, LEU305, ASN307, TYR308 and 8 more
  • 7L99 · Crystal structure of brdt bromodomain 2 in complex with cdd-1302 · XWJ A800 · binds TRP292, PRO293, PHE294, VAL298, LEU303, LEU305, ASN307, TYR308 and 7 more

Residues it binds most

VAL 10, ASN 12, TYR 12, PRO 12, LEU 10, HIS 8, PHE 10, TRP 9, CYS 8, LYS 4 (residue and the binding sites it lines).

Found with

  • JEF · O-(O-(2-aminopropyl)-O'-(2-methoxyethyl)polypropylene glycol 500)

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