Table 3.
Compound | GPCR lg | Ki | Ncr | Pi | Ei | Nvio |
---|---|---|---|---|---|---|
Nt | −0.32 | −0.79 | −1.57 | −0.8 | −0.31 | 0 |
D-Mn | −0.64 | −0.88 | −0.88 | −0.72 | −0.01 | 1 |
BCS A | −1.05 | −2 | −1.64 | −0.74 | −1.14 | 3 |
BCSN A | −0.77 | −1.61 | −1.13 | −0.48 | −0.68 | 3 |
BCSN B | −0.57 | −1.51 | −1.21 | −0.36 | −0.58 | 3 |
BCSN C | −2.69 | −3.53 | −3.34 | −2.21 | −2.67 | 3 |
BCSN D | −0.89 | −1.87 | −1.54 | −0.59 | −0.97 | 3 |
BCSN E | −3.6 | −3.79 | −3.73 | −3.53 | −3.51 | 3 |
BCSN F | −3.65 | −3.82 | −3.77 | −3.6 | −3.57 | 3 |
BCSN G | −0.62 | −1.61 | −1.24 | −0.46 | −0.52 | 3 |
BPS I | −3.13 | −3.68 | −3.61 | −2.75 | −2.9 | 3 |
BPS II | −2.99 | −3.6 | −3.48 | −2.6 | −2.95 | 3 |
BPS III | −1.65 | −2.85 | −2.47 | −1.05 | −1.7 | 3 |
BPS IV | −1.04 | −1.99 | −1.52 | −0.76 | −1.04 | 3 |
BPS V | −1.04 | −1.99 | −1.52 | −0.76 | −1.04 | 3 |
BPS VIII | −3.65 | −3.82 | −3.77 | −3.6 | −3.57 | 3 |
BPS XII | −3.65 | −3.8 | −3.77 | −3.58 | −3.59 | 3 |
PTS B | 0.21 | −0.04 | 0.1 | 0.13 | 0.36 | 2 |
BTA | 0.31 | −0.5 | 0.93 | 0.14 | 0.55 | 1 |
CCB A | 0.45 | −0.42 | 0.79 | 0.1 | 0.52 | 1 |
CCB B | 0.52 | −0.4 | 0.88 | 0.1 | 0.56 | 1 |
CCB C | 0.42 | −0.36 | 0.8 | 0.12 | 0.61 | 1 |
CCB D | 0.54 | −0.33 | 0.91 | 0.06 | 0.65 | 1 |
CCB E | 0.47 | −0.38 | 0.69 | 0.04 | 0.47 | 1 |
STRA | 0.11 | −0.2 | 0.17 | 0.06 | 0.2 | 1 |
RSV | 0.14 | −0.08 | −0.08 | 0.02 | 0.34 | 1 |
3,4DMCA | −0.42 | −0.66 | −0.15 | −0.68 | −0.13 | 0 |
ASBA | −0.53 | −1.09 | −0.01 | −0.81 | 0.2 | 0 |
ASTA | 0.2 | −0.46 | 0.91 | 0.28 | 0.66 | 0 |
BMA | 0.25 | −0.45 | 0.93 | 0.29 | 0.75 | 1 |
WG | −0.14 | 0.12 | 0.13 | −0.31 | 0.23 | 0 |
OX | 0.02 | −0.06 | 0.24 | −0.06 | 0.39 | 1 |
LLD | −0.45 | −0.91 | −0.04 | −0.33 | 0.56 | 0 |
SGMS | 0.12 | −0.48 | 0.74 | −0.02 | 0.53 | 1 |
β-SS | 0.14 | −0.51 | 0.73 | 0.07 | 0.51 | 1 |
EBL | 0.33 | −0.12 | 0.92 | 0.13 | 0.68 | 1 |
SGMSL | 0.21 | −0.35 | 0.65 | 0.24 | 0.48 | 1 |
BCSt | 0.21 | −0.37 | 0.56 | 0.15 | 0.47 | 1 |
BCSn | 0.29 | −0.49 | 0.91 | 0.19 | 0.56 | 1 |
HCS | 0.04 | −0.04 | 0.04 | 0.04 | 0.03 | 1 |
OCS | 0.04 | −0.04 | 0.04 | 0.04 | 0.03 | 1 |
NCS | 0.04 | −0.04 | 0.04 | 0.03 | 0.02 | 1 |
TC | 0.04 | −0.04 | 0.04 | 0.03 | 0.02 | 1 |
HTA | 0.03 | −0.03 | 0.04 | 0.03 | 0.02 | 1 |
DOT | 0.03 | −0.03 | 0.03 | 0.03 | 0.02 | 1 |
AG | −0.07 | 0.18 | 0.34 | −0.25 | 0.26 | 0 |
QR | −0.06 | 0.28 | 0.36 | −0.25 | 0.28 | 0 |
USA | 0.28 | −0.5 | 0.89 | 0.23 | 0.69 | 1 |
LT | −0.02 | 0.26 | 0.39 | −0.22 | 0.28 | 0 |
ASTS | −3.38 | −3.7 | −3.55 | −2.96 | −3.26 | 3 |
BPS VI | −1.65 | −2.85 | −2.47 | −1.05 | −1.7 | 3 |
BPS VII | −2.73 | −3.56 | −3.37 | −2.28 | −2.62 | 3 |