Covpdb









Ligand
Ligand Name:   p-Tolylmethanesulfonyl fluoride
Ligand Type:   non-polymer
Ligand ID:   COVPDB1443 PubChem:   15678415
Synonym(s):  
  •   (4-methylphenyl)methanesulfonyl fluoride
  • 110661-60-4
  • schembl9421747
  • mfcd29065969
  • akos037478186
show 4 synonym(s)
DrugBank:   - ChEMBL:   -
Canonical SMILES:   Cc1ccc(CS(F)(=O)=O)cc1
Standard InChI:   InChI=1S/C8H9FO2S/c1-7-2-4-8(5-3-7)6-12(9,10)11/h2-5H,6H2,1H3
Molecular Formula:   C8H9FO2S Mol. Weight:   188.03073 logP:   1.79432
HBD:   0 HBA:   2
#Rotatable Bonds:   2 TPSA:   34.14

Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID HET Code Binding Affinity Binding Database Complex Card
Subtilisin Savinase P29600 (SUBS_BACLE) Lederbergia lentus (Bacillus lentus) 5AQE VOD
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