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Ligand · CJ3

CJ3 · 1-hydroxy-2,3,1-benzodiazaborinine-2(1H)-carbothioamide

CJ3, 1-hydroxy-2,3,1-benzodiazaborinine-2(1H)-carbothioamide (C8 H8 B N3 O S, 205.1 g/mol), in the MolNFT structures on GenesisL1: bound in 1 record (1 PDB entry). Every binding site with its residues within 4.5 Å, the residues it binds…

Component
CJ3
Formula
C8 H8 B N3 O S
Class
ligand
Structures
1
PDB entries
1

Binding sites

CJ3 in 1 structure; the first of them:

  • 5CG2 · Crystal structure of E. coli FabI bound to the thiocarbamoylated benzodiazaborine… · CJ3 A501 · binds GLY93, PHE94, SER120, TYR146, TYR156, MET159, LYS163

Residues it binds most

TYR 2, GLY 2, LYS 2, MET 2, PHE 2, SER 2 (residue and the binding sites it lines).

Found with

  • NAD · Nicotinamide-adenine-dinucleotide

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