Ligand
Ligand Name:   m-(N,N,N-trimethylammonio)trifluoroacetophe
Ligand Type:   non-polymer
Ligand ID:   COVPDB1135 PubChem:   5492
Synonym(s):  
  •   chembl525622
  • trimethyl-[3-(2,2,2-trifluoroacetyl)phenyl]azanium
  • schembl7649890
  • dtxsid20274468
  • bdbm50271556
  • 3-(trifluoroacetyl)phenyltrimethylaminium
  • 156781-80-5
  • n,n,n-trimethyl-3-(2,2,2-trifluoroacetyl)benzenaminium
show 7 synonym(s)
DrugBank:   - ChEMBL:   CHEMBL525622
Canonical SMILES:   C[N+](C)(C)c1cccc(c1)C(=O)C(F)(F)F
Standard InChI:   InChI=1S/C11H13F3NO/c1-15(2,3)9-6-4-5-8(7-9)10(16)11(12,13)14/h4-7H,1-3H3/q+1
Molecular Formula:   C11H13F3NO+ Mol. Weight:   232.09438 logP:   2.6283
HBD:   0 HBA:   1
#Rotatable Bonds:   2 TPSA:   17.07

Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID HET Code Binding Affinity Binding Database Complex Card
Acetylcholinesterase P21836 (ACES_MOUSE) Mus musculus (Mouse) 2H9Y NAF
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