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Ligand · BLI

BLI · 4-oxo-2-phenylmethanesulfonyl-octahydro-pyrrolo[1,2-a]pyrazine-6-carboxylic acid [1-(N-hydroxycarbamimidoyl)-piperidin-4-ylmethyl]-amide

BLI, 4-oxo-2-phenylmethanesulfonyl-octahydro-pyrrolo[1,2-a]pyrazine-6-carboxylic acid [1-(N-hydroxycarbamimidoyl)-piperidin-4-ylmethyl]-amide (C22 H32 N6 O5 S, 492.6 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB…

Component
BLI
Formula
C22 H32 N6 O5 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

BLI in 2 structures; the first of them:

  • 1JWT · Crystal structure of thrombin in complex with a novel bicyclic lactam inhibitor · BLI A300 · binds HIS79, TYR83, TRP86, ASN131, LEU132, ILE209, ASP229, ALA230 and 12 more
  • 1JWT · Crystal structure of thrombin in complex with a novel bicyclic lactam inhibitor · BLI A300 · binds HIS79, TYR83, TRP86, ASN131, LEU132, ILE209, ASP229, ALA230 and 12 more

Residues it binds most

GLY 2, CYS 2, SER 2, TRP 2, TYR 2, ALA 2, ASN 2, ASP 2, GLU 2, HIS 2 (residue and the binding sites it lines).

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