Table 2. The values of affinity DG, free binding energy, and binding coefficients for the best conformational positions of the title compound in combination with biotargets (PDB ID: 2XCR, 5BTL, 4KPF). Values are also given for reference compounds.

Mol­ecule	Affinity DG (kcal mol−1)	E Doc (kcal mol−1)	Ki (υM)
PDB ID: 2XCR
Title compound	−7.5	−5.62	76.15
Ciprofloxacin	−7.2	−5.10	183.79
Norfloxacin	−7.2	−4.30	708.28
PDB ID: 5BTL
Title compound	−8.2	−5.64	73.02
Ciprofloxacin	−7.5	−5.51	91.69
Norfloxacin	−7.8	−5.25	142.92
PDB ID: 4KPF
Title compound	−8.1	−6.13	31.90
Ciprofloxacin	−7.4	−5.38	113.52
Norfloxacin	−7.4	−4.78	315.73