Covpdb









Ligand
Ligand Name:   avibactam
Ligand Type:   non-polymer
Ligand ID:   COVPDB1157 PubChem:   58319026
Synonym(s):  
  •   avibactam(1-)
  • (2s,5r)-2-carbamoyl-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl sulfate
  • avibactam anion
  • chebi:85988
  • amy30769
  • ncgc00390740-04
  • q27158836
  • ({[(2s,5r)-2-carbamoyl-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl]oxy}sulfonyl)oxidanide
show 7 synonym(s)
DrugBank:   - ChEMBL:   -
Canonical SMILES:   [C@@H]12CC[C@@H](C(=O)N)N(C1)C(=O)N2OS([O-])(=O)=O
Standard InChI:   InChI=1S/C7H11N3O6S/c8-6(11)5-2-1-4-3-9(5)7(12)10(4)16-17(13,14)15/h4-5H,1-3H2,(H2,8,11)(H,13,14,15)/p-1/t4-,5+/m1/s1
Molecular Formula:   C7H10N3O6S- Mol. Weight:   264.02957 logP:   -1.8679
HBD:   1 HBA:   6
#Rotatable Bonds:   3 TPSA:   133.07

Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID HET Code Binding Affinity Binding Database Complex Card
Beta-lactamase Q8RLA6 (Q8RLA6_ACIBA) Acinetobacter baumannii 4WM9 NXL Kd : 120 nM PDBBind SHOW
Beta-lactamase Q6XEC0 (Q6XEC0_KLEPN) Klebsiella pneumoniae 4WMC NXL Kd : 9 nM PDBBind SHOW
Beta-lactamase G3G192 (G3G192_KLEPN) Klebsiella pneumoniae 4S2I NXL Kd : 1 nM PDBBind SHOW
Beta-lactamase B2FRP5 (B2FRP5_STRMK) Stenotrophomonas maltophilia (strain K279a) 5NE3 NXL IC50 : 14.36 nM PDBBind SHOW
Beta-lactamase Q9L387 (Q9L387_ECOLX) Escherichia coli 5ZA2 NXL Kd : 1700 nM PDBBind SHOW
Beta-lactamase Q9L387 (Q9L387_ECOLX) Escherichia coli 5ZA2 NXL Kd : 1700 nM Binding MOAD SHOW
Beta-lactamase SHV-1 P0AD64 (BLA1_KLEPN) Klebsiella pneumoniae 4ZAM NXL
-
-
SHOW
Beta-lactamase A0A0U3IB62 (A0A0U3IB62_VIBCL) Vibrio cholerae 6MKQ NXL
-
-
SHOW
Methicillin resistance mecR1 protein P0A0B1 (MECR_STAAU) Staphylococcus aureus 6O9S NXL
-
-
SHOW
Beta-lactamase P39824 (BLAC_BACSU) Bacillus subtilis (strain 168) 6W2Z NXL
-
-
SHOW
Beta-lactamase Q6XEC0 (Q6XEC0_KLEPN) Klebsiella pneumoniae 6Q5B NXL
-
-
SHOW
Beta-lactamase Q9L5C7 (Q9L5C7_ECOLX) Escherichia coli 6MZ2 NXL
-
-
SHOW
Beta-lactamase OXA-10 P14489 (BLO10_PSEAI) Pseudomonas aeruginosa 4S2O NXL
-
-
SHOW
Beta-lactamase A0A655AHQ9 (A0A655AHQ9_MYCTX) Mycobacterium tuberculosis 6H2H NXL
-
-
SHOW
Beta-lactamase P9WKD3 (BLAC_MYCTU) Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv) 4DF6 NXL
-
-
SHOW
Beta-lactamase OXA-10 P14489 (BLO10_PSEAI) Pseudomonas aeruginosa 5MOZ NXL
-
-
SHOW
Beta-lactamase A0A0A0Q7Z8 (A0A0A0Q7Z8_ENTCL) Enterobacter cloacae 6LC8 NXL
-
-
SHOW
Beta-lactamase Q9EXV5 (Q9EXV5_ECOLX) Escherichia coli 4HBU NXL
-
-
SHOW
Beta-lactamase OXA-10 P14489 (BLO10_PSEAI) Pseudomonas aeruginosa 5MNU NXL
-
-
SHOW
Beta-lactamase OXA-10 P14489 (BLO10_PSEAI) Pseudomonas aeruginosa 5MOX NXL
-
-
SHOW
Beta-lactamase Q4LAV3 (Q4LAV3_KLEPN) Klebsiella pneumoniae 6XJ3 NXL
-
-
SHOW
Beta-lactamase P24735 (AMPC_PSEAE) Pseudomonas aeruginosa (strain ATCC 15692 / DSM 22644 / CIP 104116 / JCM 14847 / LMG 12228 / 1C / PRS 101 / PAO1) 4HEF NXL
-
-
SHOW
Beta-lactamase Q6XEC0 (Q6XEC0_KLEPN) Klebsiella pneumoniae 4S2N NXL
-
-
SHOW
Beta-lactamase Q6XEC0 (Q6XEC0_KLEPN) Klebsiella pneumoniae 4S2K NXL
-
-
SHOW
Carbapenem-hydrolyzing beta-lactamase KPC Q9F663 (BLKPC_KLEPN) Klebsiella pneumoniae 4ZBE NXL
-
-
SHOW
Beta-lactamase Q9L5C7 (Q9L5C7_ECOLX) Escherichia coli 6MZ1 NXL
-
-
SHOW
Beta-lactamase A0A175VLQ4 (A0A175VLQ4_AEREN) Aeromonas enteropelogenes (Aeromonas trota) 6FM7 NXL
-
-
SHOW
Beta-lactamase P24735 (AMPC_PSEAE) Pseudomonas aeruginosa (strain ATCC 15692 / DSM 22644 / CIP 104116 / JCM 14847 / LMG 12228 / 1C / PRS 101 / PAO1) 4OOY NXL
-
-
SHOW
Beta-lactamase A0A077KT80 (A0A077KT80_SALER) Salmonella enterica (Salmonella choleraesuis) 6BPF NXL
-
-
SHOW
Beta-lactamase A2RP81 (A2RP81_CITFR) Citrobacter freundii 6D3G NXL
-
-
SHOW
Regulatory protein BlaR1 P18357 (BLAR_STAAU) Staphylococcus aureus 6O9W NXL
-
-
SHOW