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Ligand · BHB

BHB · 2,6-diamino-8-(2-dimethylaminoethylsulfanylmethyl)-3H-quinazolin-4-one

BHB, 2,6-diamino-8-(2-dimethylaminoethylsulfanylmethyl)-3H-quinazolin-4-one (C13 H19 N5 O S, 293.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within 4.5 Å, the…

Component
BHB
Formula
C13 H19 N5 O S
Class
ligand
Structures
2
PDB entries
1

Binding sites

BHB in 2 structures; the first of them:

  • 1Q65 · CRYSTAL STRUCTURE OF TGT IN COMPLEX WITH 2,6-DIAMINO-8-(2-dimethylaminoethylsulfanylmethyl… · BHB A900 · binds ASP102, SER103, TYR106, GLN107, ASP156, ILE201, GLN203, GLY229 and 6 more
  • 1Q65 · Crystal structure of tgt in complex with 2,6-diamino-8-(2… · BHB A900 · binds ASP102, SER103, TYR106, GLN107, ASP156, ILE201, GLN203, GLY229 and 6 more

Residues it binds most

GLY 2, ASP 2, GLN 2, ALA 2, ILE 2, LEU 2, MET 2, SER 2, TYR 2, VAL 2 (residue and the binding sites it lines).

Found with

  • ZN · Zinc ion

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