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Ligand · 9ST

9ST · 4-bromo-2-methyl-5-[[(3~{R},5~{R})-1-methyl-5-phenyl-piperidin-3-yl]amino]pyridazin-3-one

9ST, 4-bromo-2-methyl-5-[[(3~{R},5~{R})-1-methyl-5-phenyl-piperidin-3-yl]amino]pyridazin-3-one (C17 H21 Br N4 O, 377.3 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (3 PDB entries). Every binding site with its residues…

Component
9ST
Formula
C17 H21 Br N4 O
Class
ligand
Structures
4
PDB entries
3

Binding sites

9ST in 4 structures; the first of them:

  • 5MLJ · Bromodomain of Human GCN5 with 4-bromo-2-methyl-5-(((3R,5R)-1-methyl-5-phenylpiperidin-3-y… · 9ST A902 · binds TRP751, PRO752, PHE753, GLU755, PRO756, VAL757, LYS758, GLU761 and 5 more
  • 5MLJ · Bromodomain of human GCN5 with 4-bromo-2-methyl-5-(((3R,5R)-1-methyl… · 9ST A902 · binds TRP751, PRO752, PHE753, GLU755, PRO756, VAL757, GLU761, ALA762 and 3 more
  • 7BLB · BAZ2A bromodomain in complex with GSK4027 chemical probe · 9ST A1901 · binds TRP1816, PRO1817, PHE1818, GLU1820, PRO1821, VAL1822, VAL1827, TYR1830 and 3 more
  • 7K6R · Crystal structure of the bromodomain (bd) of human bromodomain and phd finger-containing… · 9ST A3101 · binds TRP2950, PRO2951, PHE2952, PRO2955, VAL2956, ASP2960, ALA2961, TYR2964 and 3 more

Residues it binds most

TYR 6, PRO 6, GLU 5, PHE 6, VAL 6, ASN 6, TRP 6, ALA 5, ASP 1, LYS 1 (residue and the binding sites it lines).

Found with

  • EDO · 1,2-ethanediol

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