Ligand
Ligand Name:   (5R)-(6Z)-6-(5,6-dihydro-8H-imidazo[2,1-c][1,4]oxazin-2-ylmethylene)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-3-carboxylic acid
Ligand Type:   non-polymer
Ligand ID:   COVPDB1458 PubChem:   -
Synonym(s):   -
DrugBank:   - ChEMBL:   -
Canonical SMILES:   OC(=O)C1=CN2[C@H](S1)\C(=C/c1cn3CCOCc3n1)C2=O
Standard InChI:   InChI=1S/C13H11N3O4S/c17-11-8(12-16(11)5-9(21-12)13(18)19)3-7-4-15-1-2-20-6-10(15)14-7/h3-5,12H,1-2,6H2,(H,18,19)/b8-3-/t12-/m1/s1
Molecular Formula:   C13H11N3O4S Mol. Weight:   305.04703 logP:   0.6378
HBD:   1 HBA:   6
#Rotatable Bonds:   2 TPSA:   84.66

Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID HET Code Binding Affinity Binding Database Complex Card
Beta-lactamase SHV-1 P0AD64 (BLA1_KLEPN) Klebsiella pneumoniae 1ONG WY4 IC50 : 9 nM PDBBind SHOW
Beta-lactamase Q59401 (Q59401_ENTCL) Enterobacter cloacae 1ONH WY4 IC50 : 6.2 nM PDBBind SHOW