Ligand
Ligand Name:   4,4-Dimethyl-2-((1-(4-nitrobenzyl)-1H-1,2,3-triazol-4-yl)methyl)-1,2-thiazetidin-3-one 1,1-dioxide
Ligand Type:   non-polymer
Ligand ID:   COVPDB962 PubChem:   -
Synonym(s):   -
DrugBank:   - ChEMBL:   -
Canonical SMILES:   CC1(C)C(=O)N(S1(=O)=O)Cc2cn(nn2)Cc3ccc([N+]([O-])=O)cc3
Standard InChI:   InChI=1S/C14H15N5O5S/c1-14(2)13(20)18(25(14,23)24)9-11-8-17(16-15-11)7-10-3-5-12(6-4-10)19(21)22/h3-6,8H,7,9H2,1-2H3
Molecular Formula:   C14H15N5O5S Mol. Weight:   365.07938 logP:   0.6852
HBD:   0 HBA:   8
#Rotatable Bonds:   5 TPSA:   128.3

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) 6QEO J02
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