Ligand |
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Ligand Name: monobactam L29 | ||
Ligand Type: non-polymer | ||
Ligand ID: COVPDB1050 | PubChem: - | |
Synonym(s): - | ||
DrugBank: - | ChEMBL: - | |
Canonical SMILES: c1ccccc1OC(=O)N2[C@H](CC2=O)c3ccccc3 | ||
Standard InChI: InChI=1S/C16H13NO3/c18-15-11-14(12-7-3-1-4-8-12)17(15)16(19)20-13-9-5-2-6-10-13/h1-10,14H,11H2/t14-/m1/s1 | ||
Molecular Formula: C16H13NO3 | Mol. Weight: 267.08954 | logP: 3.159 |
HBD: 0 | HBA: 3 | |
#Rotatable Bonds: 2 | TPSA: 46.61 |
Bound Proteins |
Protein Name | Uniprot ID/ACC | Organism | PDB ID | HET Code | Binding Affinity | Binding Database | Complex Card |
Rhomboid protease GlpG | P09391 (GLPG_ECOLI) | Escherichia coli (strain K12) | 3ZMI | L6C | IC50 : 1117 nM | PDBBind | SHOW |
Rhomboid protease GlpG | P09391 (GLPG_ECOLI) | Escherichia coli (strain K12) | 3ZOT | L6C | IC50 : 1117 nM | PDBBind | SHOW |