Compound | Amino acid residues | Fitting points | Interatomic distances (Å) | RMS (Å) |
Tromethamine | S26 | O2C2O1 | 0.05, 0.03, 0.05 | 0.0134 |
Cinnamaldehyde | I32, G33 | O1C1, C1’ | 0.08, 0.04, 0.10 | 0.0074 |
NMDA | N27 | C1C2C4 | 0.03, 0.04, 0.02 | 0.0093 |
NMDA | I32, I31 | C1’, C1O1 | 0.10, 0.10, 0.01 | 0.0050 |
TC-1698 | I31 | C1C2C3 | 0.03, 0.04, 0.06 | 0.0054 |
Ibuprofen | I32, L34 | O1C1, C4 | 0.04, 0.07, 0.05 | 0.0043 |
Gallic acid | I32, G33 | O1C1, C1’ | 0.08, 0.05, 0.07 | 0.0093 |
Doxycyline | K28, N27 | C1’, C1C4 | 0.09, 0.11, 0.07 | 0.0261 |
Valproic acid | M35 | O1C1C2 | 0.01, 0.01, 0.01 | 0.0022 |
Silibinin | I32, L34 | O1C1, C1’ | 0.05, 0.14, 0.12 | 0.0050 |
Docosahexaenoic acid | I31, I32 | C2C1, C1’ | 0.09, 0.14, 0.12 | 0.0116 |
Vitamin E | G33, L34 | O1, C2C1 | 0.03, 0.10, 0.10 | 0.0051 |
17-β Estradiol | I32, L34 | O1C1, C1’ | 0.06, 0.12, 0.06 | 0.0065 |
cGMP | K28, A30 | O1C1, C1’ | 0.02, 0.04, 0.06 | 0.0004 |
Genistein | I31, L34 | C2C1, C2’ | 0.08, 0.07, 0.03 | 0.0053 |
Curcumin | A30, G33 | C2C1, C1’ | 0.15, 0.16, 0.02 | 0.0124 |
Pregnenolone | I31, I32, G33 | C1C2C1’ | 0.04, 0.05, 0.06 | 0.0027 |
Folic acid | L34, G33, I32 | N1C1N1’ | 0.11, 0.08, 0.08 | 0.0108 |
FDDNP | L34, G33, I32 | C2C1C1’ | 0.06, 0.03, 0.04 | 0.0118 |
Cromoglycate-conformer | G29, L34 | C1O1, C1’ | 0.11, 0.13, 0.02 | 0.0053 |