Ligand |
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Ligand Name: PHENOXYACETYL LACTIVICIN | ||
Ligand Type: non-polymer | ||
Ligand ID: COVPDB1231 | PubChem: 49864512 | |
Synonym(s):
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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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