GL1X · GenesisL1 explorer

Ligand · 4T1

4T1 · (2R)-2-[(1-aminoisoquinolin-6-yl)amino]-4,11-diazatricyclo[14.2.2.1~6,10~]henicosa-1(18),6(21),7,9,16,19-hexaene-3,12-dione

4T1, (2R)-2-[(1-aminoisoquinolin-6-yl)amino]-4,11-diazatricyclo[14.2.2.1~6,10~]henicosa-1(18),6(21),7,9,16,19-hexaene-3,12-dione (C28 H27 N5 O2, 465.6 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every…

Component
4T1
Formula
C28 H27 N5 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

4T1 in 2 structures; the first of them:

  • 4ZXY · FACTOR VIIA IN COMPLEX WITH THE INHIBITOR (2R)-2-[(1-aminoisoquinolin-6-yl)amino]-4,11-dia… · 4T1 H301 · binds HIS57, ASP60, LYS60A, GLY97, THR98, THR99, ASP189, SER190 and 13 more
  • 4ZXY · Factor viia in complex with the inhibitor (2R)-2-[(1-aminoisoquinolin… · 4T1 H301 · binds HIS57, ASP60, LYS60A, GLY97, THR98, THR99, ASP189, SER190 and 13 more

Residues it binds most

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

Found with

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

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