GL1X · GenesisL1 explorer

Ligand · 4T0

4T0 · N-{3-[(2R)-1-{(2R)-2-[(1-aminoisoquinolin-6-yl)amino]-2-phenylacetyl}pyrrolidin-2-yl]-4-(propan-2-ylsulfonyl)phenyl}acetamide

4T0, N-{3-[(2R)-1-{(2R)-2-[(1-aminoisoquinolin-6-yl)amino]-2-phenylacetyl}pyrrolidin-2-yl]-4-(propan-2-ylsulfonyl)phenyl}acetamide (C32 H35 N5 O4 S, 585.7 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry).…

Component
4T0
Formula
C32 H35 N5 O4 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

4T0 in 2 structures; the first of them:

  • 4ZXX · FACTOR VIIA IN COMPLEX WITH THE INHIBITOR N-{3-[(2R)-1-{(2R)-2-[(1-aminoisoquinolin-6-yl)a… · 4T0 H301 · binds LEU41, CYS42, HIS57, CYS58, ASP60, LYS60A, GLY97, THR98 and 17 more
  • 4ZXX · Factor viia in complex with the inhibitor N-{3-[(2R)-1-{(2R)-2-[(1… · 4T0 H301 · binds LEU41, CYS42, HIS57, CYS58, ASP60, LYS60A, GLY97, THR98 and 17 more

Residues it binds most

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

Found with

  • CA · Calcium ion
  • SO4 · Sulfate ion

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