Ligand
Ligand Name:   DVR-II-41S
Ligand Type:   non-polymer
Ligand ID:   COVPDB717 PubChem:   44290119
Synonym(s):  
  •   chembl1206637
DrugBank:   - ChEMBL:   CHEMBL1206637
Canonical SMILES:   NC(=O)\C=C\C1=C(N2[C@@H](\C(=C/c3ccccn3)C2=O)S(=O)(=O)C1)C(O)=O
Standard InChI:   InChI=1S/C16H13N3O6S/c17-12(20)5-4-9-8-26(24,25)15-11(7-10-3-1-2-6-18-10)14(21)19(15)13(9)16(22)23/h1-7,15H,8H2,(H2,17,20)(H,22,23)/b5-4+,11-7-/t15-/m1/s1
Molecular Formula:   C16H13N3O6S Mol. Weight:   375.05252 logP:   -0.5581
HBD:   2 HBA:   6
#Rotatable Bonds:   4 TPSA:   147.73

Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID HET Code Binding Affinity Binding Database Complex Card
Beta-lactamase Q59401 (Q59401_ENTCL) Enterobacter cloacae 1GA0 DVR
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