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Ligand · P8N

P8N · (~{E})-3-[4-[[2-[(9~{S})-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^{2, 6}]trideca-2(6 ),4,7,10,12-pentaen-9-yl]ethanoylamino]methyl]phenyl]-~{N}-oxidanyl-prop-2-enamide

P8N, (~{E})-3-[4-[[2-[(9~{S})-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^{2, 6}]trideca-2(6 ),4,7,10,12-pentaen-9-yl]ethanoylamino]methyl]phenyl]-~{N}-oxidanyl-prop-2-enamide (C29 H27 Cl N6 O3 S, 575.1…

Component
P8N
Formula
C29 H27 Cl N6 O3 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

P8N in 2 structures; the first of them:

  • 6YQP · Crystal structure of the first bromodomain of human BRD4 in complex with the dual… · P8N A204 · binds TRP81, PRO82, PHE83, VAL87, LEU92, LEU94, CYS136, TYR139 and 4 more
  • 6YQP · Crystal structure of the first bromodomain of human BRD4 in complex with the dual… · P8N A204 · binds TRP81, PRO82, PHE83, VAL87, LEU92, LEU94, CYS136, TYR139 and 4 more

Residues it binds most

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

Found with

  • EDO · 1,2-ethanediol

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