Ligand
Ligand Name:   N-Benzylcarbamoyl-4-phenylsulfonylazetidin-2-one
Ligand Type:   non-polymer
Ligand ID:   COVPDB971 PubChem:   -
Synonym(s):   -
DrugBank:   - ChEMBL:   -
Canonical SMILES:   c1ccccc1CNC(=O)N2[C@H](CC2=O)S(=O)(=O)c3ccccc3
Standard InChI:   InChI=1S/C17H16N2O4S/c20-15-11-16(24(22,23)14-9-5-2-6-10-14)19(15)17(21)18-12-13-7-3-1-4-8-13/h1-10,16H,11-12H2,(H,18,21)/t16-/m0/s1
Molecular Formula:   C17H16N2O4S Mol. Weight:   344.08307 logP:   1.9285
HBD:   1 HBA:   4
#Rotatable Bonds:   4 TPSA:   83.55

Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID HET Code Binding Affinity Binding Database Complex Card
Chymotrypsin-like elastase family member 1 P00772 (CELA1_PIG) Sus scrofa (Pig) 2V35 J54
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