Exploration of charge states of balanol analogues acting as ATP-competitive inhibitors in kinases

BMC Bioinformatics

Table 3 Charge states of balanol analogues

Analogue	Charge state selected, indicated by x
	A	B	C	D
	COO⁻; NH; OH	COO⁻; NH₂ ⁺; OH	COO⁻; NH₂ ⁺; O⁻	COO⁻; NH; O⁻
1		×	×
1a	×	×	×
1c		×	×
1d	×			×
1e	×			×

COO ^- Carboxyl (C15′′O₂ ⁻), NH Amine (N1H), NH ₂ ⁺ Ammonium (N1H₂ ⁺), OH Phenol (C6′′OH), O ^- Phenolate

ISSN: 1471-2105