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Ligand · G8S

G8S · 4-[(4-chlorophenyl)(methyl)amino]-1-{4-[4-(4-{[4-(dimethylamino)pyridinium-1-yl]methyl}phenyl)butyl]benzyl}pyridinium

G8S, 4-[(4-chlorophenyl)(methyl)amino]-1-{4-[4-(4-{[4-(dimethylamino)pyridinium-1-yl]methyl}phenyl)butyl]benzyl}pyridinium (C37 H41 Cl N4 +2, 577.2 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every…

Component
G8S
Formula
C37 H41 Cl N4 +2
Class
ligand
Structures
2
PDB entries
1

Binding sites

G8S in 2 structures; the first of them:

  • 4CG8 · Human choline kinase a1 in complex with compound 14 · G8S A1458 · binds TRP248, THR252, TYR256, ASN305, ASP306, GLN308, TYR333, GLU349 and 8 more
  • 4CG8 · Human choline kinase A1 in complex with compound 14 · G8S A1458 · binds TRP248, THR252, TYR256, ASN305, ASP306, GLN308, TYR333, GLU349 and 8 more

Residues it binds most

TYR 2, TRP 2, ASN 2, ASP 2, GLN 2, GLU 2, ILE 2, LEU 2, PHE 2, THR 2 (residue and the binding sites it lines).

Found with

  • G8V · 1-benzyl-4-(dimethylamino)pyridinium

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