GL1X · GenesisL1 explorer

Ligand · 3Z9

3Z9 · methyl {3-[(2R)-1-{(2R)-2-(3,4-dimethoxyphenyl)-2-[(1-oxo-1,2,3,4-tetrahydroisoquinolin-7-yl)amino]acetyl}pyrrolidin-2-yl]-4-(propan-2-ylsulfonyl)phenyl}carbamate

3Z9, methyl {3-[(2R)-1-{(2R)-2-(3,4-dimethoxyphenyl)-2-[(1-oxo-1,2,3,4-tetrahydroisoquinolin-7-yl)amino]acetyl}pyrrolidin-2-yl]-4-(propan-2-ylsulfonyl)phenyl}carbamate (C34 H40 N4 O8 S, 664.8 g/mol), in the MolNFT structures on GenesisL1…

Component
3Z9
Formula
C34 H40 N4 O8 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

3Z9 in 2 structures; the first of them:

  • 4X8V · FACTOR VIIA IN COMPLEX WITH THE INHIBITOR (methyl… · 3Z9 H301 · binds LEU41, CYS42, HIS57, CYS58, ASP60, LYS60A, GLY97, THR98 and 17 more
  • 4X8V · Factor viia in complex with the inhibitor (methyl {3-[(2R)-1-{(2R)-2… · 3Z9 H301 · binds LEU41, CYS42, HIS57, CYS58, ASP60, LYS60A, GLY97, THR98 and 17 more

Residues it binds most

CYS 2, GLY 2, ASP 2, SER 2, LYS 2, THR 2, VAL 2, GLN 2, HIS 2, LEU 2 (residue and the binding sites it lines).

Found with

  • CA · Calcium ion
  • SO4 · Sulfate ion
  • GOL · Glycerol

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