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Ligand · 97S

97S · 2-chloranyl-4-[[4-(ethylamino)-1,3-dimethyl-2-oxidanylidene-quinolin-6-yl]amino]pyridine-3-carbonitrile

97S, 2-chloranyl-4-[[4-(ethylamino)-1,3-dimethyl-2-oxidanylidene-quinolin-6-yl]amino]pyridine-3-carbonitrile (C19 H18 Cl N5 O, 367.8 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with…

Component
97S
Formula
C19 H18 Cl N5 O
Class
ligand
Structures
2
PDB entries
1

Binding sites

97S in 2 structures; the first of them:

  • 7Q7S · Crystal structure of human BCL6 BTB domain in complex with compound 4 · 97S A201 · binds MET51, ALA52, CYS53, SER54, GLY55, TYR58, GLN113, MET114 and 1 more
  • 7Q7S · Crystal structure of human BCL6 btb domain in complex with compound 4 · 97S A201 · binds MET51, ALA52, CYS53, SER54, GLY55, TYR58, GLN113, MET114 and 1 more

Residues it binds most

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

Found with

  • CL · Chloride ion
  • EDO · 1,2-ethanediol

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