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Ligand · BD3

BD3 · Nalpha-[(3-tert-butyl-1-methyl-1H-pyrazol-5-yl)carbonyl]-N-[(2E)-2-iminoethyl]-3-{5-[(Z)-iminomethyl]-1,3,4-oxadiazol-2-yl}-L-phenylalaninamide

BD3, Nalpha-[(3-tert-butyl-1-methyl-1H-pyrazol-5-yl)carbonyl]-N-[(2E)-2-iminoethyl]-3-{5-[(Z)-iminomethyl]-1,3,4-oxadiazol-2-yl}-L-phenylalaninamide (C23 H28 N8 O3, 464.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1…

Component
BD3
Formula
C23 H28 N8 O3
Class
ligand
Structures
2
PDB entries
1

Binding sites

BD3 in 2 structures; the first of them:

  • 3HWN · CATHEPSIN L with AZ13010160 · BD3 A221 · binds GLN19, GLY23, SER24, CYS25, TRP26, GLY61, ASN62, GLU63 and 14 more
  • 3HWN · Cathepsin L with AZ13010160 · BD3 A221 · binds GLN19, GLY23, SER24, CYS25, TRP26, GLY61, ASN62, GLU63 and 14 more

Residues it binds most

GLY 8, ASP 8, ALA 8, MET 8, SER 8, CYS 8, GLN 8, GLU 8, HIS 8, LEU 8 (residue and the binding sites it lines).

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