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Ligand · 45J

45J · 4-chloro-2-methylthieno[2,3-d][1,2,3]diazaborinin-1(2H)-ol

45J, 4-chloro-2-methylthieno[2,3-d][1,2,3]diazaborinin-1(2H)-ol (C6 H6 B Cl N2 O S, 200.4 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 residues it…

Component
45J
Formula
C6 H6 B Cl N2 O S
Class
ligand
Structures
2
PDB entries
1

Binding sites

45J in 2 structures; the first of them:

  • 4Y37 · Endothiapepsin in complex with fragement 305 · 45J A402 · binds ASP15, LEU224, VAL248, PHE280, PRO282, ILE283, PHE291
  • 4Y37 · Endothiapepsin in complex with fragement 305 · 45J A402 · binds ASP15, LEU224, VAL248, PHE280, PRO282, ILE283, PHE291

Residues it binds most

PHE 2, ASP 2, ILE 2, LEU 2, PRO 2, VAL 2 (residue and the binding sites it lines).

Found with

  • ACT · Acetate ion
  • GOL · Glycerol

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