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Ligand · VHN

VHN · (2S)-2-[[6-[(2-chloranyl-3-cyano-pyridin-4-yl)amino]-2-oxidanylidene-1H-quinolin-4-yl]amino]-N-methyl-propanamide

VHN, (2S)-2-[[6-[(2-chloranyl-3-cyano-pyridin-4-yl)amino]-2-oxidanylidene-1H-quinolin-4-yl]amino]-N-methyl-propanamide (C19 H17 Cl N6 O2, 396.8 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding…

Component
VHN
Formula
C19 H17 Cl N6 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

VHN in 2 structures; the first of them:

  • 7OKJ · Crystal structure of human BCL6 BTB domain in complex with compound 12c and its… · VHN A201 · binds MET51, ALA52, CYS53, SER54, GLY55, TYR58, GLN113, MET114 and 1 more
  • 7OKJ · Crystal structure of human BCL6 btb domain in complex with compound 12C and its… · VHN 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

  • VHZ · (2R)-2-[[6-[(2-chloranyl-3-cyano-pyridin-4-yl)amino]-2-oxidanylidene-1H-quinolin-4-yl]amino]-N-methyl-propanamide
  • CL · Chloride ion
  • EDO · 1,2-ethanediol

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