Ligand
Ligand Name:   PHENOXYACETYL LACTIVICIN
Ligand Type:   non-polymer
Ligand ID:   COVPDB1231 PubChem:   49864512
Synonym(s):  
  •   chembl1221990
  • bdbm50324696
show 1 synonym(s)
DrugBank:   - ChEMBL:   CHEMBL1221990
Canonical SMILES:   OC(=O)[C@@]1(CCC(=O)O1)N1OC[C@H](NC(=O)COc2ccccc2)C1=O
Standard InChI:   InChI=1S/C16H16N2O8/c19-12(9-24-10-4-2-1-3-5-10)17-11-8-25-18(14(11)21)16(15(22)23)7-6-13(20)26-16/h1-5,11H,6-9H2,(H,17,19)(H,22,23)/t11-,16-/m0/s1
Molecular Formula:   C16H16N2O8 Mol. Weight:   364.09067 logP:   -0.5581
HBD:   2 HBA:   7
#Rotatable Bonds:   6 TPSA:   131.47

Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID HET Code Binding Affinity Binding Database Complex Card
DD-transpeptidase O70038 (O70038_STREE) Streptococcus pneumoniae 2JCH PL7
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