GL1X · GenesisL1 explorer

Ligand · W99

W99 · [2-(1,3-benzodioxol-5-ylamino)-1,3-thiazol-4-yl]-[(3R, 5S)-3,5-dimethylpiperidin-1-yl]methanone

W99, [2-(1,3-benzodioxol-5-ylamino)-1,3-thiazol-4-yl]-[(3R, 5S)-3,5-dimethylpiperidin-1-yl]methanone (C18 H21 N3 O3 S, 359.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its…

Component
W99
Formula
C18 H21 N3 O3 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

W99 in 2 structures; the first of them:

  • 7DXF · Structure of BTDM-bound human TRPC6 nanodisc at 2.9 angstrom in high calcium state · W99 A1002 · binds PHE607, SER608, ILE610, ALA611, GLN624, LEU627, GLY628, VAL631 and 8 more
  • 7DXF · Structure of btdm-bound human TRPC6 nanodisc at 2.9 ångström in high calcium state · W99 A1002 · binds PHE607, SER608, ILE610, ALA611, GLN624, LEU627, GLY628, VAL631 and 8 more

Residues it binds most

ALA 8, ILE 8, LEU 8, MET 8, PHE 8, VAL 8, GLN 8, GLY 8, SER 8, THR 8 (residue and the binding sites it lines).

Found with

  • 98R · [(2S)-2-[(E)-octadec-10-enoyl]oxy-3-oxidanyl-propyl] octadec-10-enoate
  • POV · (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate
  • Y01 · Cholesterol hemisuccinate
  • CA · Calcium ion
  • ZN · Zinc ion

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