Ligand
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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