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Ligand · 8S2

8S2 · (2~{S},4~{S})-~{N}1-(1-aminocarbonylindol-3-yl)-4-azanyl-~{N}2-[3-(trifluoromethyloxy) phenyl]pyrrolidine-1,2-dicarboxamide

8S2, (2~{S},4~{S})-~{N}1-(1-aminocarbonylindol-3-yl)-4-azanyl-~{N}2-[3-(trifluoromethyloxy) phenyl]pyrrolidine-1,2-dicarboxamide (C22 H21 F3 N6 O4, 490.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry).…

Component
8S2
Formula
C22 H21 F3 N6 O4
Class
ligand
Structures
2
PDB entries
1

Binding sites

8S2 in 2 structures; the first of them:

  • 5NB6 · Complement factor D in complex with the inhibitor… · 8S2 A301 · binds HIS40, LEU41, CYS42, HIS57, CYS58, TRP141, GLY142, ILE143 and 13 more
  • 5NB6 · Complement factor D in complex with the inhibitor (2S,4S)-4-amino… · 8S2 A301 · binds HIS40, LEU41, CYS42, HIS57, TRP141, GLY142, ILE143, ARG151 and 12 more

Residues it binds most

SER 2, CYS 2, GLY 2, ARG 2, HIS 2, ILE 2, LEU 2, LYS 2, THR 2, TRP 2 (residue and the binding sites it lines).

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