Ligand |
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Ligand Name: monobactam L62 | ||
Ligand Type: non-polymer | ||
Ligand ID: COVPDB1048 | PubChem: - | |
Synonym(s): - | ||
DrugBank: - | ChEMBL: - | |
Canonical SMILES: C1CCCC1OC(=O)N2[C@H](CC2=O)c3ccccc3 | ||
Standard InChI: InChI=1S/C15H17NO3/c17-14-10-13(11-6-2-1-3-7-11)16(14)15(18)19-12-8-4-5-9-12/h1-3,6-7,12-13H,4-5,8-10H2/t13-/m1/s1 | ||
Molecular Formula: C15H17NO3 | Mol. Weight: 259.12085 | logP: 3.0392 |
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) | 3ZMH | L62 | IC50 : 5267 nM | PDBBind | SHOW |