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Ligand · I5Y

I5Y · (6S,9R,20R,23S)-N-{[4-(aminomethyl)phenyl]methyl}-20-[(benzenesulfonyl)amino]-3,13,21-trioxo-2,6,9,14,22-pentaazatetracyclo[23.2.2.2~6,9~.2~15,18~]tritriaconta-1(27),15,17,25,28,30-hexaene-23-carboxamide

I5Y, (6S,9R,20R,23S)-N-{[4-(aminomethyl)phenyl]methyl}-20-[(benzenesulfonyl)amino]-3,13,21-trioxo-2,6,9,14,22-pentaazatetracyclo[23.2.2.2~6,9~.2~15,18~]tritriaconta-1(27),15,17,25,28,30-hexaene-23-carboxamide (C43 H52 N8 O6 S, 809.0…

Component
I5Y
Formula
C43 H52 N8 O6 S
Class
ligand
Structures
1
PDB entries
1

Binding sites

I5Y in 1 structure; the first of them:

  • 7THS · Macrocyclic plasmin inhibitor · I5Y A801 · binds HIS603, ASP646, ARG719, ASP735, SER736, CYS737, GLN738, ALA741 and 12 more

Residues it binds most

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

Found with

  • I5Q · (2S)-butane-1,2-diol
  • SO4 · Sulfate ion

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