Ligand
Ligand Name:   Aztreonam
Ligand Type:   non-polymer
Ligand ID:   COVPDB520 PubChem:   5459211
Synonym(s):  
  •   cayston
  • unii-5q55m3d9ua
  • 78110-38-0
  • 5q55m3d9ua
  • 99341-02-3
  • 2-[[(2-amino-1,3-thiazol-4-yl)-[[(2s,3s)-2-methyl-4-oxo-1-sulfo-azetidin-3-yl]carbamoyl]methylidene]amino]oxy-2-methylpropanoic acid
  • ncgc00016936-01
  • cas-78110-38-0
  • sq 28429
  • schembl37512
  • bspbio_002512
  • aztreonam(azactam, cayston)/
  • spectrum1505122
  • chembl410081
  • schembl13616074
  • chebi:94511
  • gtpl10763
  • dtxsid20244045
  • pharmakon1600-01505122
  • zinc3830264
  • abp000466
  • ca0151
  • nsc758913
  • stl011049
  • akos015969724
  • akos034796899
  • ccg-213342
  • nsc-758913
  • sq26776
  • ncgc00016936-02
  • (e)-2-((((2-amino-4-thiazolyl)(((2s,3s)-2-methyl-4-oxo-1-sulfo-3-azetidinyl)carbamoyl(methylene)amino(oxy)-2-methylpropionic acid
  • 2-[(e)-[1-(2-amino-1,3-thiazol-4-yl)-2-[[(2s,3s)-2-methyl-4-oxo-1-sulfoazetidin-3-yl]amino]-2-oxoethylidene]amino]oxy-2-methylpropanoic acid
  • propanoic acid, 2-(((e)-(1-(2-amino-4-thiazolyl)-2-(((2s,3s)-2-methyl-4-oxo-1-sulfo-3-azetidinyl)amino)-2-oxoethylidene)amino)oxy)-2-methyl-
  • sbi-0206775.p001
  • a-9950
  • ab01563305_01
  • aztreonam, antibiotic for culture media use only
  • q418546
  • brd-k36547807-001-02-4
  • (3s)-2-oxo-3beta-[2-(2-aminothiazole-4-yl)-2-(1-carboxy-1-methylethoxyimino)acetylamino]-4alpha-methylazetidine-1-sulfonic acid
  • 2-({[(1e)-1-(2-amino-1,3-thiazol-4-yl)-2-{[(2s,3s)-2-methyl-4-oxo-1-sulfoazetidin-3-yl]amino}-2-oxoethylidene]amino}oxy)-2-methylpropanoic acid
show 40 synonym(s)
DrugBank:   DB00355 ChEMBL:   CHEMBL410081
Canonical SMILES:   C[C@H]1[C@H](NC(=O)C(=N/OC(C)(C)C(O)=O)\c2csc(N)n2)C(=O)N1S(O)(=O)=O
Standard InChI:   InChI=1S/C13H17N5O8S2/c1-5-7(10(20)18(5)28(23,24)25)16-9(19)8(6-4-27-12(14)15-6)17-26-13(2,3)11(21)22/h4-5,7H,1-3H3,(H2,14,15)(H,16,19)(H,21,22)(H,23,24,25)/b17-8-/t5-,7-/m0/s1
Molecular Formula:   C13H17N5O8S2 Mol. Weight:   435.05185 logP:   -1.1725
HBD:   4 HBA:   10
#Rotatable Bonds:   7 TPSA:   201.58

Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID HET Code Binding Affinity Binding Database Complex Card
Beta-lactamase Q51578 (Q51578_KLEPN) Klebsiella pneumoniae 4WBG AZR Ki : 2850 nM PDBBind SHOW
Penicillin-binding protein 1B P02919 (PBPB_ECOLI) Escherichia coli (strain K12) 5HLB AZR IC50 : 98500 nM PDBBind SHOW
Beta-lactamase Q46041 (Q46041_CITFR) Citrobacter freundii 1FR6 AZR IC50 : 6 nM BindingDB SHOW
Penicillin-binding protein PbpB L0T911 (PBPB_MYCTU) Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv) 6KGU AZR
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SHOW
Beta-lactamase Toho-1 Q47066 (BLT1_ECOLX) Escherichia coli 2ZQC AZR
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SHOW
Peptidoglycan D,D-transpeptidase FtsI Q51504 (Q51504_PSEAI) Pseudomonas aeruginosa 3PBS AZR
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SHOW