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Ligand · 96P

96P · (2S)-3-({[3-(trifluoromethyl)phenoxy]carbonyl}amino)propane-1,2-diyl bis(3,4,5-trihydroxybenzoate)

96P, (2S)-3-({[3-(trifluoromethyl)phenoxy]carbonyl}amino)propane-1,2-diyl bis(3,4,5-trihydroxybenzoate) (C25 H20 F3 N O12, 583.4 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries). Every binding site with its…

Component
96P
Formula
C25 H20 F3 N O12
Class
ligand
Structures
4
PDB entries
2

Binding sites

96P in 4 structures; the first of them:

  • 4G8O · Crystal Structure of a novel small molecule inactivator bound to plasminogen activator… · 96P D403 · binds TRP175, LYS176, THR177, PHE179, GLN204, ASN206, LYS207, PHE208 and 6 more
  • 4G8R · Crystal Structure of a novel small molecule inactivator bound to plasminogen activator… · 96P B402 · binds ARG131, PHE134, ILE135, ASP138, SER6, TYR7, HIS10, ASP68 and 1 more
  • 4G8O · Crystal structure of a novel small molecule inactivator bound to plasminogen activator… · 96P D403 · binds TRP175, LYS176, THR177, PHE179, GLN204, ASN206, LYS207, PHE208 and 6 more
  • 4G8R · Crystal structure of a novel small molecule inactivator bound to plasminogen activator… · 96P B402 · binds ARG131, PHE134, ILE135, ASP138, SER6, TYR7, HIS10, ASP68 and 1 more

Residues it binds most

PHE 6, ARG 6, ASP 6, LYS 4, SER 4, TYR 4, ASN 2, LEU 4, MET 4, GLN 2 (residue and the binding sites it lines).

Found with

  • SO4 · Sulfate ion
  • EDO · 1,2-ethanediol

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