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Ligand · SSR

SSR · 2-(3-fluoro-2-methylbenzyl)-4-methyl-1-phenyl-3-(piperazin-1-ylcarbonyl)-1H-indol-5-ol

SSR, 2-(3-fluoro-2-methylbenzyl)-4-methyl-1-phenyl-3-(piperazin-1-ylcarbonyl)-1H-indol-5-ol (C28 H28 F N3 O2, 457.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues…

Component
SSR
Formula
C28 H28 F N3 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

SSR in 2 structures; the first of them:

  • 3OOT · Crystal Structure Analysis of Renin-indole-piperazin inhibitor complexes · SSR A327 · binds GLN13, VAL30, ASP32, GLY34, TYR75, SER76, THR77, PRO111 and 11 more
  • 3OOT · Crystal structure analysis of renin-indole-piperazin inhibitor complexes · SSR A327 · binds GLN13, VAL30, ASP32, GLY34, TYR75, SER76, THR77, PRO111 and 11 more

Residues it binds most

SER 4, ASP 4, GLY 4, PHE 4, VAL 4, ALA 4, THR 4, TYR 4, GLN 4, LEU 4 (residue and the binding sites it lines).

Found with

  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose

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