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Ligand · XNH

XNH · (3~{R})-4-[2-[4-[1-(3-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]phenoxy]ethyl]-1,3-dimethyl-piperazin-2-one

XNH, (3~{R})-4-[2-[4-[1-(3-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]phenoxy]ethyl]-1,3-dimethyl-piperazin-2-one (C25 H33 N7 O3, 479.6 g/mol), in the MolNFT structures on GenesisL1: bound in 1 record (1 PDB entry). Every…

Component
XNH
Formula
C25 H33 N7 O3
Class
ligand
Structures
1
PDB entries
1

Binding sites

XNH in 1 structure; the first of them:

  • 5KHM · The first bet bromodomain of BRD4 bound to compound 13 in a bivalent manner · XNH A201 · binds PRO82, PHE83, VAL87, LEU94, TYR97, CYS136, TYR139, ASN140 and 11 more

Residues it binds most

TYR 1, ASN 1, ASP 1, ILE 1, PHE 1, PRO 1, VAL 1, CYS 1, LEU 1, MET 1 (residue and the binding sites it lines).

Found with

  • GOL · Glycerol

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