Compounds | Fitting points | Interatomic distances (Å) | RMS (Å) |
3-methyladenine | O6C5C8 | 0.02, 0.03, 0.02 | 0.0067 |
3-methyladenosine | C6C1’N7 | 0.01, 0.02, 0.03 | 0.0048 |
3-methyladenosine | N7C8O7 | 0.09, 0.05, 0.11 | 0.0040 |
5,6α-epoxide | C4O8C3’ | 0.05, 0.06, 0.09 | 0.0225 |
7-ketocholesterol | C1’C2C6 | 0.02, 0.06, 0.07 | 0.0086 |
7-ketocholesterol | C4C4’C1’ | 0.11, 0.10, 0.06 | 0.0084 |
17β-estradiol | O3C1’C4’ | 0.10, 0.03, 0.09 | 0.0024 |
20αHC | C4’C3’O6 | 0.14, 0.14, 0.03 | 0.0105 |
20αHC | O6C6O8 | 0.08, 0.11, 0.04 | 0.0024 |
22(R)HC | C4C1’O7 | 0.04, 0.06, 0.02 | 0.0093 |
24(S)HC | C8C2’O7 | 0.02, 0.12, 0.13 | 0.0102 |
27HC | C4C1’C3’ | 0.03, 0.06, 0.04 | 0.0117 |
α-tocopherol | C3’O9O8 | 0,12, 0.08, 0.07 | 0.0201 |
ascorbic acid | C4’C2’O3 | 0.07, 0.07, 0.07 | 0.0027 |
betulinic acid | C2’C1N9 | 0.09, 0.05, 0.11 | 0.0205 |
betulinic acid | O7C4’C6 | 0.08, 0.10, 0.17 | 0.0073 |
betulinic acid | C4’C2’N1 | 0.09, 0.06, 0.02 | 0.0072 |
biotin | O9C4’O8 | 0.06, 0.11, 0.05 | 0.0000 |
bufalin | C2O7C2’ | 0.07, 0.08, 0.10 | 0.0188 |
bufalin | C6C2O7 | 0.14, 0.04, 0.12 | 0.0060 |
cholestane-triol | O8C3’C4 | 0.06, 0.08, 0.09 | 0.0184 |
cholesterol | C4’C2’C2 | 0.09, 0.04, 0.05 | 0.0054 |
cholesterol | C4’C1’C2 | 0.11, 0.09, 0.06 | 0.0188 |
cholesterol | C3’C2’C4 | 0.05, 0.09, 0.09 | 0.0141 |
cholesterol | C4’C2’C2 | 0.10, 0.07, 0.06 | 0.0056 |
cholesterol | C3’C1’C4 | 0.05, 0.06, 0.03 | 0.0176 |
cholesterol | C4’C1’C8 | 0.07, 0.03, 0.05 | 0.0038 |
cortisol | C6C5C2’ | 0.08, 0.04, 0.04 | 0.0065 |
cortisol | C4C1’C3’ | 0.05, 0.07, 0.07 | 0.0180 |
cycloheximide | C3’C2’C6 | 0.04, 0.09, 0.09 | 0.0076 |
cytosine arabinoside | C3’C4’C8 | 0.01, 0.01, 0.02 | 0.0003 |
dendrogenin | C6C5C2’ | 0.14, 0.08, 0.08 | 0.0150 |
DHEA | C4C1’C3’ | 0.04, 0.06, 0.08 | 0.0101 |
diethylstilbestrol | O3C1’C4 | 0.06, 0.05, 0.02 | 0.0049 |
dimethylfumarate | O2C3’O5 | 0.03, 0.09, 0.10 | 0.0028 |
diosgenin | O8C3’C6 | 0.06, 0.07, 0.12 | 0.0056 |
docosahexaenoic acid | O7O5C2 | 0.13, 0.11, 0.07 | 0.0090 |
doxorubicin | C1’C2C6 | 0.06, 0.06, 0.12 | 0.0013 |
fenoldopam | N1C4O3 | 0.10, 0.13, 0.04 | 0.0105 |
fulvestrant | C4C3C1’ | 0.07, 0.09, 0.07 | 0.0151 |
lumisterol | C6C5C2’ | 0.07, 0.06, 0.01 | 0.0002 |
mifepristone | C5C4C2’ | 0.10, 0.12, 0.03 | 0.0143 |
OCDO | C3’C2’C6 | 0.14, 0.13, 0.10 | 0.0182 |
OCDO | C6C5C2’ | 0.14, 0.08, 0.08 | 0.0153 |
QW-1624F2-2 | C5C4O7 | 0.08, 0.07, 0.01 | 0.0006 |
riociguat | O6C6C7 | 0.06, 0.07, 0.01 | 0.0047 |
staurosporine | C1’C8C2 | 0.03, 0.05, 0.05 | 0.0048 |
T0901317 | O9C8C2’ | 0.11, 0.08, 0.04 | 0.0034 |
T0901317 | C3’C1’C5 | 0.05, 0.03, 0.08 | 0.0003 |
tadalafil | N7C8C4’ | 0.10, 0.10, 0.06 | 0.0143 |
tesmilifene | O3C3’C6 | 0.05, 0.02, 0.07 | 0.0001 |
vitamin D | C5C4C7 | 0.07, 0.07, 0.01 | 0.0001 |
vitamin D | C8N9O7 | 0.10, 0.11, 0.05 | 0.0064 |
withaferin A | C6C2O5 | 0.14, 0.04, 0.13 | 0.0073 |