Ligand
Ligand Name:   ceftazidime
Ligand Type:   non-polymer
Ligand ID:   COVPDB624 PubChem:   6857980
Synonym(s):  
  •   prestwick2_000489
  • schembl12374441
  • chebi:94676
  • zinc3871960
  • brd-k59935627-345-01-4
  • (6r,7r)-7-[[(2e)-2-(2-amino-1,3-thiazol-4-yl)-2-(2-carboxypropan-2-yloxyimino)acetyl]amino]-8-oxo-3-(pyridin-1-ium-1-ylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
  • (6r,7r)-7-[[(2z)-2-(2-amino-1,3-thiazol-4-yl)-2-(2-carboxypropan-2-yloxyimino)acetyl]amino]-8-oxo-3-(pyridin-1-ium-1-ylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
  • 1-[[(6r,7r)-2-carboxy-7-[[2-[(z)-(2-hydroxy-2-oxo-1,1-dimethylethoxy)imino]-2-(2-aminothiazole-4-yl)acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]octane-2-ene]-3-ylmethyl]pyridinium
show 7 synonym(s)
DrugBank:   - ChEMBL:   -
Canonical SMILES:   CC(C)(O\N=C(/C(=O)N[C@H]1[C@H]2SCC(C[n+]3ccccc3)=C(N2C1=O)C(O)=O)c1csc(N)n1)C(O)=O
Standard InChI:   InChI=1S/C22H22N6O7S2/c1-22(2,20(33)34)35-26-13(12-10-37-21(23)24-12)16(29)25-14-17(30)28-15(19(31)32)11(9-36-18(14)28)8-27-6-4-3-5-7-27/h3-7,10,14,18H,8-9H2,1-2H3,(H4-,23,24,25,29,31,32,33,34)/p+1/b26-13-/t14-,18-/m1/s1
Molecular Formula:   C22H23N6O7S2+ Mol. Weight:   547.10645 logP:   0.0355
HBD:   4 HBA:   10
#Rotatable Bonds:   9 TPSA:   188.39

Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID HET Code Binding Affinity Binding Database Complex Card
Beta-lactamase Q9L5C7 (Q9L5C7_ECOLX) Escherichia coli 6V83 CAZ
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Beta-lactamase A0A0A0Q7Z8 (A0A0A0Q7Z8_ENTCL) Enterobacter cloacae 6LC9 CAZ
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Beta-lactamase Q9L5C7 (Q9L5C7_ECOLX) Escherichia coli 6V7T CAZ
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Beta-lactamase P00811 (AMPC_ECOLI) Escherichia coli (strain K12) 1IEL CAZ
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Beta-lactamase Q9L5C7 (Q9L5C7_ECOLX) Escherichia coli 6V8V CAZ
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Beta-lactamase Q6XEC0 (Q6XEC0_KLEPN) Klebsiella pneumoniae 6Q5F CTJ
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Beta-lactamase OXA-225 G5DE28 (G5DE28_ACIBA) Acinetobacter baumannii 4X55 CTJ
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Beta-lactamase Toho-1 Q47066 (BLT1_ECOLX) Escherichia coli 2ZQD CAZ
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Peptidoglycan D,D-transpeptidase FtsI G3XD46 (FTSI_PSEAE) Pseudomonas aeruginosa (strain ATCC 15692 / DSM 22644 / CIP 104116 / JCM 14847 / LMG 12228 / 1C / PRS 101 / PAO1) 3PBO CAZ
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