Ligand
Ligand Name:   ETX2514
Ligand Type:   non-polymer
Ligand ID:   COVPDB1005 PubChem:   -
Synonym(s):   -
DrugBank:   - ChEMBL:   -
Canonical SMILES:   CC1=C[C@H]2CN([C@@H]1C(N)=O)C(=O)N2OS(O)(=O)=O
Standard InChI:   InChI=1S/C8H11N3O6S/c1-4-2-5-3-10(6(4)7(9)12)8(13)11(5)17-18(14,15)16/h2,5-6H,3H2,1H3,(H2,9,12)(H,14,15,16)/t5-,6-/m0/s1
Molecular Formula:   C8H11N3O6S Mol. Weight:   277.03687 logP:   -1.3592
HBD:   2 HBA:   5
#Rotatable Bonds:   3 TPSA:   130.24

Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID HET Code Binding Affinity Binding Database Complex Card
Beta-lactamase Q8RLA6 (Q8RLA6_ACIBA) Acinetobacter baumannii 5VFD 9CP
-
-
SHOW
Beta-lactamase Q8RLA6 (Q8RLA6_ACIBA) Acinetobacter baumannii 6MPQ JXG
-
-
SHOW