Ligand
Ligand Name:   CLAVULANATE
Ligand Type:   non-polymer
Ligand ID:   COVPDB634 PubChem:   5280980
Synonym(s):  
  •   clavulanic acid
  • 58001-44-8
  • acido clavulanico
  • acide clavulanique
  • antibiotic mm 14151
  • acidum clavulanicum
  • clavulansaeure
  • (2r,3z,5r)-3-(2-hydroxyethylidene)-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
  • mm 14151
  • brl 14151
  • brl-14151
  • clavulanate acid
  • chebi:48947
  • unii-23521w1s24
  • (z)-(2r,5r)-3-(2-hydroxyethylidene)-7-oxo-4-oxa-1-azabicyclo(3.2.0)heptane-2-carboxylic acid
  • chembl777
  • rx-10100
  • sodium clavulanate
  • clavulansaeure [inn]
  • 23521w1s24
  • clavulanate lithium
  • clavulinic acid
  • acide clavulanique [inn-french]
  • acido clavulanico [inn-spanish]
  • acidum clavulanicum [inn-latin]
  • clavulox (tn)
  • brl-14151k
  • clavulanic acid (inn)
  • einecs 261-069-2
  • 3008-b
  • brn 0787059
  • clavulanic acid [inn:ban]
  • clavulonic acid
  • brl14151
  • (z)-(2r,5r)-3-(2-hydroxyethyliden)-7-oxo-4-oxa-1-azabicyclo(3.2.0)heptan-2-carbonsaeure
  • epitope id:117130
  • schembl6093
  • schembl34260
  • bspbio_002430
  • dtxsid2022830
  • gtpl11128
  • zinc3830569
  • bdbm50021959
  • akos016009164
  • db00766
  • ncgc00188985-01
  • 4-oxa-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 3-(2-hydroxyethylidene)-7-oxo-, (2r-(2-alpha,3z,5-alpha))-
  • sbi-0206779.p001
  • a12384
  • c06662
  • d07711
  • 49700-ep2275102a1
  • 49700-ep2295432a1
  • 49700-ep2308874a1
  • 49700-ep2311825a1
  • 001c448
  • q415709
  • w-105420
  • clavulanic acid, antibiotic for culture media use only
  • (2r,5r)-3-(2-hydroxyethylidene)-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptane-2beta-carboxylic acid
  • 1365254-41-6
  • 4-oxa-1-azabicyclo[3.2.0]heptane-2-carboxylic acid,3-(2-hydroxyethylidene)-7-oxo-,(2r,3z,5r)-
show 61 synonym(s)
DrugBank:   DB00766 ChEMBL:   CHEMBL777
Canonical SMILES:   OC\C=C1/O[C@@H]2CC(=O)N2[C@H]1C(O)=O
Standard InChI:   InChI=1S/C8H9NO5/c10-2-1-4-7(8(12)13)9-5(11)3-6(9)14-4/h1,6-7,10H,2-3H2,(H,12,13)/b4-1-/t6-,7-/m1/s1
Molecular Formula:   C8H9NO5 Mol. Weight:   199.04807 logP:   -1.0956
HBD:   2 HBA:   4
#Rotatable Bonds:   2 TPSA:   87.07

Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID HET Code Binding Affinity Binding Database Complex Card
Chymotrypsin-like elastase family member 1 P00772 (CELA1_PIG) Sus scrofa (Pig) 2IOT CL5
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-
SHOW
Beta-lactamase Q9X6W1 (Q9X6W1_ECOLX) Escherichia coli 6NVU TEM
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-
SHOW
Beta-lactamase Q9X6W1 (Q9X6W1_ECOLX) Escherichia coli 6NVU L4A
-
-
SHOW
Beta-lactamase A0A655AHQ9 (A0A655AHQ9_MYCTX) Mycobacterium tuberculosis 6H2C ISS
-
-
SHOW
Beta-lactamase SHV-1 P0AD64 (BLA1_KLEPN) Klebsiella pneumoniae 2H0T TEM
-
-
SHOW
Beta-lactamase C8CP57 (C8CP57_ECOLX) Escherichia coli 6J2O ISS
-
-
SHOW
Beta-lactamase P00807 (BLAC_STAAU) Staphylococcus aureus 1BLC TEM
-
-
SHOW
Beta-lactamase P00807 (BLAC_STAAU) Staphylococcus aureus 1BLC CEM
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SHOW
Beta-lactamase P9WKD3 (BLAC_MYCTU) Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv) 3CG5 ISS
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-
SHOW
Beta-lactamase SHV-1 P0AD64 (BLA1_KLEPN) Klebsiella pneumoniae 2A49 TEM
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-
SHOW
Beta-lactamase C8CP57 (C8CP57_ECOLX) Escherichia coli 6J2K ISS
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SHOW