Ligand
Ligand Name:   QPX7728
Ligand Type:   non-polymer
Ligand ID:   COVPDB1284 PubChem:   140830474
Synonym(s):  
  •   hy-136069
  • cs-0119486
show 1 synonym(s)
DrugBank:   - ChEMBL:   -
Canonical SMILES:   OB1Oc2c(ccc(F)c2C(O)=O)[C@H]2C[C@@H]12
Standard InChI:   InChI=1S/C10H8BFO4/c12-7-2-1-4-5-3-6(5)11(15)16-9(4)8(7)10(13)14/h1-2,5-6,15H,3H2,(H,13,14)/t5-,6-/m1/s1
Molecular Formula:   C10H8BFO4 Mol. Weight:   222.04997 logP:   1.2543
HBD:   2 HBA:   3
#Rotatable Bonds:   1 TPSA:   66.76

Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID HET Code Binding Affinity Binding Database Complex Card
Beta-lactamase Q6XEC0 (Q6XEC0_KLEPN) Klebsiella pneumoniae 6V1O RM9
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Carbapenem-hydrolyzing beta-lactamase KPC Q9F663 (BLKPC_KLEPN) Klebsiella pneumoniae 6V1J RM9
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