Ligand · 657
657 · 6-(trifluoromethoxy)-1,3-benzothiazol-2-amine
657, 6-(trifluoromethoxy)-1,3-benzothiazol-2-amine (C8 H5 F3 N2 O S, 234.2 g/mol), in the MolNFT structures on GenesisL1: bound in 5 records (4 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most and…
- Component
- 657
- Formula
- C8 H5 F3 N2 O S
- Class
- ligand
- Structures
- 5
- PDB entries
- 4
Binding sites
657 in 5 structures; the first of them:
- 5V02 · A positive allosteric modulator binding pocket in SK2 ion channels is shared by Riluzole… · 657 R201 · binds ALA477, LEU480, VAL481, PHE19, LEU32, MET51, GLU54, VAL55 and 4 more
- 9F2H · Crystal structure of SARS-CoV-2 N-protein C-terminal domain in complex with riluzole · 657 A401 · binds GLN281, THR282, GLU323, THR325, TRP330, THR332, ALA336, TYR268
- 5V02 · A positive allosteric modulator binding pocket in SK2 ion channels is shared by riluzole… · 657 R201 · binds ALA477, LEU480, VAL481, PHE19, LEU32, MET51, GLU54, VAL55 and 4 more
- 7BNJ · Notum riluzole · 657 A612 · binds TRP128, TYR129, VAL187, ALA233, THR236, PHE268, PHE319, PHE320 and 1 more
- 7WDB · Human TRPC5 channel in complex with riluzole · 657 A905 · binds TYR374, GLU418, ASP439, ASN443, ARG492, LEU493, SER495, LEU496
Residues it binds most
LEU 6, GLU 7, PHE 3, MET 2, TYR 6, ALA 4, VAL 3, ARG 4, ASN 4, ASP 4 (residue and the binding sites it lines).
Found with
- SO4 · Sulfate ion
- CA · Calcium ion
- GOL · Glycerol
- 7OC · [3-[(~{E})-octadec-10-enoyl]oxy-2-oxidanyl-propyl] (~{E})-octadec-10-enoate
- POV · (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate
- PTY · Phosphatidylethanolamine
- Y01 · Cholesterol hemisuccinate
- ZN · Zinc ion
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose
- DMS · Dimethyl sulfoxide
- EDO · 1,2-ethanediol
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