Table 2:(6,6-dimethyl-5,6-dihydroimidazo[2,1-b][1,3] thiazol- 3-yl)methyl N,N’-dicyclohexylimidothiocarbamate interaction.
Hydrogen bonds
Polar
Hydrophobic
Other
N (2) GLU32
–
[2.95] (CD, OE1, OE2)
H (1) GLU32
–
[1.95] (OE1, OE2)
C (6) LEU41
–
[3.42] (CD1)
C (17) ARG30
–
[3.88] (CG)
N (4) ASP97
–
[2.58] (CG,OD1)
H (3) ASP97
-
[2.01] (OD1)
C (4) LEU41
–
[3.81] (CD1)
H (1) GLU32
–
[2.58] (CD, CG)
N (3) ASP97
–
[3.03] (OD1)
H (2) ASP97
–
[3.57] (OD1)
C (14) TRP94
–
[3.71] (CD1, CG)
C (15) GLU32
–
[3.69] (OO E1, E2)
C (13) TRP94
–
[3.43] (CD2, CE2, CZ2)
S (1) GLU32
–
[3.74] (OE2)
C (3) TRP94
–
[3.31] (CE3,CZ3)
C (1) TYR45
–
[3.84] (OH)
C (4) ALA98
–
[3.84] (CB)
C (3) TYR45
–
[3.23] (OH)
C (12) TRP102
–
[3.02] (CE3,CH2, CZ3)
C (7) TYR45
–
[3.41] (OH)
C (14) TRP102
–
[3.89] (CZ3)
C (4) TYR45
–
[3.69] (OH)
C (18) ILE185
–
[3.79] (CG2)
C (13) TRP94
–
[3.60] (NE1)
C (15) ILE185
–
[3.54] (CD1)
H (3) ASP97
–
[3.01] (CB,CG)
C (11) CYS186
–
[3.51] (CB, SG)
C (12) ASP97
–
[3.40] (CB,CG,OD1)
C (19) ASP97
–
[2.96] (OD1)
C (21) ASP97
–
[3.72] (OD1)
C (1) ASP97
–
[3.59] (OD1)
C (5) ASP97
–
[3.63] (OD1)
C (11) ASP97
–
[3.59] (OD1)
N (2) ILE185
–
[3.75] (CD1)
H (1) ILE185
–
[3.73] (CD1)
S (1) ILE185
–
[3.53] (CD1)
C (8) ASP187
–
[3.14] (OD2)
C (9) SER285
–
[3.14] (OG)
C (6) SER285
–
[3.60] (OG)
C (7) GLU288
–
[3.47] (OE2)