Ligand
Ligand Name:   AZLOCILLIN
Ligand Type:   non-polymer
Ligand ID:   COVPDB254 PubChem:   6479523
Synonym(s):  
  •   37091-66-0
  • azlocilina
  • azlocilline
  • azlocillinum
  • azlocilina [inn-spanish]
  • azlocilline [inn-french]
  • azlocillinum [inn-latin]
  • unii-hum6h389w0
  • chebi:2956
  • hum6h389w0
  • (2s,5r,6r)-3,3-dimethyl-7-oxo-6-((r)-2-(2-oxo-1-imidazolidinecarboxamido)-2-phenylacetamido)-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid
  • (2s,5r,6r)-3,3-dimethyl-7-oxo-6-{[(2r)-2-{[(2-oxoimidazolidin-1-yl)carbonyl]amino}-2-phenylacetyl]amino}-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
  • c20h23n5o6s
  • (2s,5r,6r)-3,3-dimethyl-7-oxo-6-((r)-2-(2-oxoimidazolidine-1-carboxamido)-2-phenylacetamido)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
  • 4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid,3,3-dimethyl-7-oxo-6-[[[[(2-oxo-1-imidazolidinyl)carbonyl]amino]phenylacetyl]amino]-, [2s-[2a,5a,6b(s*)]]-
  • azlocillin (usan/inn)
  • azlocillin [usan:inn:ban]
  • einecs 253-348-2
  • prestwick3_000821
  • epitope id:141185
  • 6-((r)-2-(2-oxoimidazolidin-1-carboxamido)-2-phenylacetamido)penicillansaeure
  • chembl1537
  • schembl34150
  • bspbio_000741
  • bpbio1_000817
  • zinc3830261
  • akos025402328
  • ac-8140
  • db01061
  • ds-3291
  • 2,2-dimethyl-6beta-[(2r)-2-{[(2-oxoimidazolidin-1-yl)carbonyl]amino}-2-phenylacetamido]penam-3alpha-carboxylic acid
  • 4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-(((((2-oxo-1-imidazolidinyl)carbonyl)amino)phenylacetyl)amino)-, (2s-(2alpha,5alpha,6beta(s*)))-
  • 91a659
  • c06839
  • d02339
  • q510154
  • brd-k60663764-236-02-1
  • (2s,5r,6r)-3,3-dimethyl-7-oxo-6-[(2r)-2-{[(2-oxoimidazolidin-1-yl)carbonyl]amino}-2-phenylacetamido]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
  • (2s,5r,6r)-3,3-dimethyl-7-oxo-6-[[(2r)-2-[(2-oxoimidazolidine-1-carbonyl)amino]-2-phenyl-acetyl]amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
  • 4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-[[[[((r)-2-oxo-1-imidazolidinyl)carbonyl]amino]phenylacetyl]amino]-, (2s,5r,6r)-
show 39 synonym(s)
DrugBank:   DB01061 ChEMBL:   CHEMBL1537
Canonical SMILES:   CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](NC(=O)N3CCNC3=O)c3ccccc3)C(=O)N2[C@H]1C(O)=O
Standard InChI:   InChI=1S/C20H23N5O6S/c1-20(2)13(17(28)29)25-15(27)12(16(25)32-20)22-14(26)11(10-6-4-3-5-7-10)23-19(31)24-9-8-21-18(24)30/h3-7,11-13,16H,8-9H2,1-2H3,(H,21,30)(H,22,26)(H,23,31)(H,28,29)/t11-,12-,13+,16-/m1/s1
Molecular Formula:   C20H23N5O6S Mol. Weight:   461.1369 logP:   0.0942
HBD:   4 HBA:   6
#Rotatable Bonds:   5 TPSA:   148.15

Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID HET Code Binding Affinity Binding Database Complex Card
Peptidoglycan D,D-transpeptidase FtsI Q51504 (Q51504_PSEAI) Pseudomonas aeruginosa 5DF7 59H
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