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Ligand · S9Q

S9Q · 5-chloranyl-4-[3-oxidanylidene-4-[[2-(trifluoromethyl) phenyl]methyl]piperazin-1-yl]-1~{H}-pyridazin-6-one

S9Q, 5-chloranyl-4-[3-oxidanylidene-4-[[2-(trifluoromethyl) phenyl]methyl]piperazin-1-yl]-1~{H}-pyridazin-6-one (C16 H14 Cl F3 N4 O2, 386.8 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site…

Component
S9Q
Formula
C16 H14 Cl F3 N4 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

S9Q in 2 structures; the first of them:

  • 7B0S · TRPC4 in complex with inhibitor GFB-8438 · S9Q A1001 · binds HIS369, THR370, TYR373, PHE413, ASP438, MET441, ASN442, TYR445 and 4 more
  • 7B0S · TRPC4 in complex with inhibitor gfb-8438 · S9Q A1001 · binds HIS369, TYR373, PHE413, ASP438, MET441, ASN442, SER488, ARG491 and 2 more

Residues it binds most

TYR 8, ARG 8, ASN 8, ASP 8, HIS 8, LEU 8, MET 8, PHE 8, SER 8, THR 4 (residue and the binding sites it lines).

Found with

  • 44E · (2R)-3-(phosphonooxy)propane-1,2-diyl dihexanoate
  • CA · Calcium ion

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