Ligand
Ligand Name:   ticarcillin
Ligand Type:   non-polymer
Ligand ID:   COVPDB1471 PubChem:   36921
Synonym(s):  
  •   34787-01-4
  • ticarcilina
  • ticarcilline
  • ticarcillinum
  • ticarcilina [inn-spanish]
  • ticarcilline [inn-french]
  • ticarcillinum [inn-latin]
  • ticar
  • chebi:9587
  • unii-f93ujx4swt
  • ticarcillin free base
  • c15h16n2o6s2
  • f93ujx4swt
  • alpha-carboxy-3-thienylmethylpenicillin
  • brl-2288
  • 4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 6-((carboxy-3-thienylacetyl)amino)-3,3-dimethyl-7-oxo-, (2s-(2alpha,5alpha,6beta(s*)))-
  • (2s,5r,6r)-6-{[(2r)-2-carboxy-2-thiophen-3-ylacetyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
  • ticarcillin [inn:ban]
  • ticarcillin supplement
  • einecs 252-213-5
  • brl2288
  • (2s,5r,6r)-6-[[(2r)-2-carboxy-2-thiophen-3-ylacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
  • ticarcillin (inn)
  • tipc
  • pubchem13644
  • prestwick0_001067
  • prestwick1_001067
  • prestwick2_001067
  • epitope id:120358
  • chembl1449
  • schembl34025
  • ticillin [veterinary] (tn)
  • spbio_002967
  • dtxsid0023668
  • gtpl10928
  • zinc3831540
  • bdbm50103522
  • timentin (ticarcillin + clavulanate)
  • akos015894856
  • db01607
  • ticarcillin supplement, for microbiology
  • m960
  • c07139
  • d08593
  • 787t014
  • j-019755
  • q2601832
  • (2s,5r,6r)-6-((r)-2-carboxy-2-(thiophen-3-yl)acetamido)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
  • (2s,5r,6r)-6-[(2r)-2-carboxy-2-(thiophen-3-yl)acetamido]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
  • (2s,5r,6r)-6-{[(2r)-2-carboxy-2-(3-thienyl)acetyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
  • 6beta-{[(2r)-2-carboxy-2-thiophen-3-ylacetyl]amino}-2,2-dimethylpenam-3alpha-carboxylic acid
show 50 synonym(s)
DrugBank:   DB01607 ChEMBL:   CHEMBL1449
Canonical SMILES:   CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](C(O)=O)c3ccsc3)C(=O)N2[C@H]1C(O)=O
Standard InChI:   InChI=1S/C15H16N2O6S2/c1-15(2)9(14(22)23)17-11(19)8(12(17)25-15)16-10(18)7(13(20)21)6-3-4-24-5-6/h3-5,7-9,12H,1-2H3,(H,16,18)(H,20,21)(H,22,23)/t7-,8-,9+,12-/m1/s1
Molecular Formula:   C15H16N2O6S2 Mol. Weight:   384.04498 logP:   0.548
HBD:   3 HBA:   6
#Rotatable Bonds:   5 TPSA:   124.01

Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID HET Code Binding Affinity Binding Database Complex Card
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) 6UN3 XT8
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