Ligand
Ligand Name:   WL-001
Ligand Type:   non-polymer
Ligand ID:   COVPDB562 PubChem:   138753149
Synonym(s):  
  •   chembl4453017
  • bdbm50518892
show 1 synonym(s)
DrugBank:   - ChEMBL:   CHEMBL4453017
Canonical SMILES:   SC[C@@H](C)C(=O)N[C@H](B(O)O)c1ccc(F)cc1
Standard InChI:   InChI=1S/C11H15BFNO3S/c1-7(6-18)11(15)14-10(12(16)17)8-2-4-9(13)5-3-8/h2-5,7,10,16-18H,6H2,1H3,(H,14,15)/t7-,10+/m1/s1
Molecular Formula:   C11H15BFNO3S Mol. Weight:   271.08496 logP:   0.5609
HBD:   4 HBA:   4
#Rotatable Bonds:   5 TPSA:   69.56

Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID HET Code Binding Affinity Binding Database Complex Card
Carbapenem-hydrolyzing beta-lactamase KPC Q9F663 (BLKPC_KLEPN) Klebsiella pneumoniae 6JN4 BX9
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Carbapenem-hydrolyzing beta-lactamase KPC Q9F663 (BLKPC_KLEPN) Klebsiella pneumoniae 6J8Q BHU
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