Ligand
Ligand Name:   PFC_001
Ligand Type:   non-polymer
Ligand ID:   COVPDB1207 PubChem:   -
Synonym(s):   -
DrugBank:   - ChEMBL:   -
Canonical SMILES:   OB(Cn1cc(CNS(=O)(=O)CC(F)(F)F)nn1)OP(O)(O)=O
Standard InChI:   InChI=1S/C6H11BF3N4O7PS/c8-6(9,10)3-23(19,20)11-1-5-2-14(13-12-5)4-7(15)21-22(16,17)18/h2,11,15H,1,3-4H2,(H2,16,17,18)
Molecular Formula:   C6H11BF3N4O7PS Mol. Weight:   382.01312 logP:   -1.6112
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 6TZI P1K
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