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