Ligand
Ligand Name:   hexadecane sulfonyl fluoride
Ligand Type:   non-polymer
Ligand ID:   COVPDB900 PubChem:   3572
Synonym(s):  
  •   hexadecanesulfonyl fluoride
  • hexadecane-1-sulfonyl fluoride
  • hexadecylsulfonyl fluoride
  • 86855-26-7
  • 1-hexadecanesulfonyl fluoride
  • 1-hexadecylsulfonyl fluoride
  • ancajyd3fv
  • unii-ancajyd3fv
  • chembl94809
  • chebi:43275
  • am374
  • am-374
  • am 374
  • palmitylsulfonyl fluoride
  • palmitylsulphonyl fluoride
  • schembl1309840
  • dtxsid60235876
  • bdbm50396293
  • db02035
  • q27093123
show 19 synonym(s)
DrugBank:   DB02035 ChEMBL:   CHEMBL94809
Canonical SMILES:   CCCCCCCCCCCCCCCCS(F)(=O)=O
Standard InChI:   InChI=1S/C16H33FO2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20(17,18)19/h2-16H2,1H3
Molecular Formula:   C16H33FO2S Mol. Weight:   308.21854 logP:   5.767
HBD:   0 HBA:   2
#Rotatable Bonds:   15 TPSA:   34.14

Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID HET Code Binding Affinity Binding Database Complex Card
Palmitoyl-protein thioesterase 1 P45478 (PPT1_BOVIN) Bos taurus (Bovine) 1EXW HDS Ki : 125000 nM PDBBind SHOW
Lipase 1 P20261 (LIP1_DIURU) Diutina rugosa (Yeast) (Candida rugosa) 1LPO HDS
-
-
SHOW
Hydrolase Q7SIG1 (Q7SIG1_ALIAC) Alicyclobacillus acidocaldarius subsp. acidocaldarius (Bacillus acidocaldarius) 1QZ3 HDS
-
-
SHOW
Lipase 1 P20261 (LIP1_DIURU) Diutina rugosa (Yeast) (Candida rugosa) 1LPP HDS
-
-
SHOW
Phospholipase A1 P0A921 (PA1_ECOLI) Escherichia coli (strain K12) 1QD6 HDS
-
-
SHOW