Ligand |
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Ligand Name: ME_096 | ||
Ligand Type: non-polymer | ||
Ligand ID: COVPDB1229 | PubChem: - | |
Synonym(s): - | ||
DrugBank: - | ChEMBL: - | |
Canonical SMILES: Cc1ccc(cc1)S(=O)(=O)NCc1cn(CB(O)OP(O)(O)=O)nn1 | ||
Standard InChI: InChI=1S/C11H16BN4O7PS/c1-9-2-4-11(5-3-9)25(21,22)13-6-10-7-16(15-14-10)8-12(17)23-24(18,19)20/h2-5,7,13,17H,6,8H2,1H3,(H2,18,19,20) | ||
Molecular Formula: C11H16BN4O7PS | Mol. Weight: 390.05704 | logP: -0.80598 |
HBD: 4 | HBA: 8 | |
#Rotatable Bonds: 8 | TPSA: 163.87 |
Bound Proteins |
Protein Name | Uniprot ID/ACC | Organism | PDB ID | HET Code | Binding Affinity | Binding Database | Complex Card |
Beta-lactamase | Q6DRA1 (Q6DRA1_ACIBA) | Acinetobacter baumannii | 6TZJ | PKV |
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SHOW |