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Ligand · 5D2

5D2 · N-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-1-(3-methyl[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide

5D2, N-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-1-(3-methyl[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide (C25 H33 Cl N8 O, 497.0 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every…

Component
5D2
Formula
C25 H33 Cl N8 O
Class
ligand
Structures
2
PDB entries
1

Binding sites

5D2 in 2 structures; the first of them:

  • 5DLX · FIRST DOMAIN OF HUMAN BROMODOMAIN BRD4 IN COMPLEX WITH INHIBITOR… · 5D2 A201 · binds PHE79, TRP81, PRO82, PHE83, VAL87, LEU92, LEU94, TYR97 and 7 more
  • 5DLX · First domain of human bromodomain BRD4 in complex with inhibitor N-{3… · 5D2 A201 · binds PHE79, TRP81, PRO82, PHE83, VAL87, LEU92, LEU94, TYR97 and 7 more

Residues it binds most

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

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