GL1X · GenesisL1 explorer

Ligand · EBL

EBL · (2~{S})-10-[[5-chloranyl-2-[(3~{S},5~{R})-3-methyl-5-oxidanyl-piperidin-1-yl]pyrimidin-4-yl]amino]-2-cyclopropyl-3,3-bis(fluoranyl)-7-methyl-2,4-dihydro-1~{H}-[1,4]oxazepino[2,3-c]quinolin-6-one

EBL, (2~{S})-10-[[5-chloranyl-2-[(3~{S},5~{R})-3-methyl-5-oxidanyl-piperidin-1-yl]pyrimidin-4-yl]amino]-2-cyclopropyl-3,3-bis(fluoranyl)-7-methyl-2,4-dihydro-1~{H}-[1,4]oxazepino[2,3-c]quinolin-6-one (C26 H29 Cl F2 N6 O3, 547.0 g/mol), in…

Component
EBL
Formula
C26 H29 Cl F2 N6 O3
Class
ligand
Structures
2
PDB entries
1

Binding sites

EBL in 2 structures; the first of them:

  • 7QK0 · Crystal structure of human BCL6 BTB domain in complex with compound 12a · EBL A201 · binds MET51, ALA52, CYS53, SER54, GLY55, TYR58, PHE89, GLN113 and 2 more
  • 7QK0 · Crystal structure of human BCL6 btb domain in complex with compound 12A · EBL A201 · binds MET51, ALA52, CYS53, SER54, GLY55, TYR58, PHE89, GLN113 and 2 more

Residues it binds most

MET 2, ALA 2, CYS 2, GLN 2, GLU 2, GLY 2, PHE 2, SER 2, TYR 2 (residue and the binding sites it lines).

Found with

  • CL · Chloride ion
  • DMS · Dimethyl sulfoxide
  • EDO · 1,2-ethanediol

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