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- PDB : .ZIP | .CSV
- Family 90% : .ZIP | .CSV
- Class : .ZIP | .CSV
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 2 families. | |||||
1 | 6GSP | - | 3GP | C10 H14 N5 O8 P | c1nc2c(n1[.... |
2 | 1TRP | - | 2GP | C10 H14 N5 O8 P | c1nc2c(n1[.... |
3 | 5GSP | - | 3GP | C10 H14 N5 O8 P | c1nc2c(n1[.... |
4 | 7RNT | - | 2AM | C10 H14 N5 O7 P | c1nc(c2c(n.... |
5 | 1FYS | - | 2GP | C10 H14 N5 O8 P | c1nc2c(n1[.... |
6 | 1LOV | - | 3GP | C10 H14 N5 O8 P | c1nc2c(n1[.... |
7 | 6RNT | Kd = 4.3 mM | 2AM | C10 H14 N5 O7 P | c1nc(c2c(n.... |
8 | 1RGA | - | G | C10 H14 N5 O8 P | c1nc2c(n1[.... |
9 | 1RLS | - | 3GP | C10 H14 N5 O8 P | c1nc2c(n1[.... |
10 | 1LOW | - | 3GP | C10 H14 N5 O8 P | c1nc2c(n1[.... |
11 | 1I2F | - | 2GP | C10 H14 N5 O8 P | c1nc2c(n1[.... |
12 | 1DET | Kd = 50 uM | 2GP | C10 H14 N5 O8 P | c1nc2c(n1[.... |
13 | 1HZ1 | - | 2GP | C10 H14 N5 O8 P | c1nc2c(n1[.... |
14 | 5BIR | Kd = 255 uM | 2GP | C10 H14 N5 O8 P | c1nc2c(n1[.... |
15 | 1FZU | - | 2GP | C10 H14 N5 O8 P | c1nc2c(n1[.... |
16 | 1B2M | - | G U34 | n/a | n/a |
17 | 1BVI | - | 2GP | C10 H14 N5 O8 P | c1nc2c(n1[.... |
18 | 1I2E | - | 2GP | C10 H14 N5 O8 P | c1nc2c(n1[.... |
19 | 1G02 | - | 2GP | C10 H14 N5 O8 P | c1nc2c(n1[.... |
20 | 1BIR | Kd = 138 uM | 2GP | C10 H14 N5 O8 P | c1nc2c(n1[.... |
21 | 1RNT | Kd = 6.5 uM | 2GP | C10 H14 N5 O8 P | c1nc2c(n1[.... |
22 | 3BIR | Kd = 112 uM | 2GP | C10 H14 N5 O8 P | c1nc2c(n1[.... |
23 | 1CH0 | - | 2GP | C10 H14 N5 O8 P | c1nc2c(n1[.... |
24 | 1I3I | - | 2GP | C10 H14 N5 O8 P | c1nc2c(n1[.... |
25 | 4GSP | - | SGP | C10 H12 N5 O6 P S | c1nc2c(n1[.... |
26 | 2AAD | - | 2GP | C10 H14 N5 O8 P | c1nc2c(n1[.... |
27 | 5HOH | - | 2GP | C10 H14 N5 O8 P | c1nc2c(n1[.... |
28 | 3BU4 | - | 2GP | C10 H14 N5 O8 P | c1nc2c(n1[.... |
29 | 3SYU | Kd = 50 uM | 2GP | C10 H14 N5 O8 P | c1nc2c(n1[.... |
30 | 1I0V | - | 2GP | C10 H14 N5 O8 P | c1nc2c(n1[.... |
31 | 1RHL | - | 2GP | C10 H14 N5 O8 P | c1nc2c(n1[.... |
32 | 1I2G | - | 2GP | C10 H14 N5 O8 P | c1nc2c(n1[.... |
33 | 1I0X | - | 2GP | C10 H14 N5 O8 P | c1nc2c(n1[.... |
34 | 1RGK | Kd = 49.1 uM | 2AM | C10 H14 N5 O7 P | c1nc(c2c(n.... |
35 | 1I3F | - | 2GP | C10 H14 N5 O8 P | c1nc2c(n1[.... |
36 | 1LRA | - | 2GP | C10 H14 N5 O8 P | c1nc2c(n1[.... |
37 | 4HOH | - | 2GP | C10 H14 N5 O8 P | c1nc2c(n1[.... |
38 | 2RNT | - | GPG | C20 H25 N10 O12 P | c1nc2c(n1[.... |
39 | 2BU4 | - | 2GP | C10 H14 N5 O8 P | c1nc2c(n1[.... |
40 | 5BU4 | - | 2GP | C10 H14 N5 O8 P | c1nc2c(n1[.... |
41 | 2BIR | - | 2GP | C10 H14 N5 O8 P | c1nc2c(n1[.... |
42 | 1RGC | - | 3GP | C10 H14 N5 O8 P | c1nc2c(n1[.... |
43 | 1GSP | - | SGP | C10 H12 N5 O6 P S | c1nc2c(n1[.... |
44 | 2HOH | - | 2GP | C10 H14 N5 O8 P | c1nc2c(n1[.... |
45 | 1HYF | - | 2GP | C10 H14 N5 O8 P | c1nc2c(n1[.... |
46 | 7GSP | - | SGP | C10 H12 N5 O6 P S | c1nc2c(n1[.... |
47 | 3GSP | - | SGP | C10 H12 N5 O6 P S | c1nc2c(n1[.... |
48 | 3HOH | - | 2GP | C10 H14 N5 O8 P | c1nc2c(n1[.... |
49 | 1LOY | - | 3GP | C10 H14 N5 O8 P | c1nc2c(n1[.... |
50 | 1BU4 | - | 2GP | C10 H14 N5 O8 P | c1nc2c(n1[.... |
51 | 2GSP | - | SGP | C10 H12 N5 O6 P S | c1nc2c(n1[.... |
52 | 1RGL | Kd = 37 uM | 2GP | C10 H14 N5 O8 P | c1nc2c(n1[.... |
53 | 1TRQ | - | 2GP | C10 H14 N5 O8 P | c1nc2c(n1[.... |
54 | 4BU4 | - | 2GP | C10 H14 N5 O8 P | c1nc2c(n1[.... |
55 | 1RMS | - | 3GP | C10 H14 N5 O8 P | c1nc2c(n1[.... |
56 | 1RDS | - | GPC | C19 H24 F N8 O11 P | c1nc2c(n1[.... |
57 | 1FUT | - | 2GP | C10 H14 N5 O8 P | c1nc2c(n1[.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 2 families. | |||||
1 | 6GSP | - | 3GP | C10 H14 N5 O8 P | c1nc2c(n1[.... |
2 | 1TRP | - | 2GP | C10 H14 N5 O8 P | c1nc2c(n1[.... |
3 | 5GSP | - | 3GP | C10 H14 N5 O8 P | c1nc2c(n1[.... |
4 | 7RNT | - | 2AM | C10 H14 N5 O7 P | c1nc(c2c(n.... |
5 | 1FYS | - | 2GP | C10 H14 N5 O8 P | c1nc2c(n1[.... |
6 | 1LOV | - | 3GP | C10 H14 N5 O8 P | c1nc2c(n1[.... |
7 | 6RNT | Kd = 4.3 mM | 2AM | C10 H14 N5 O7 P | c1nc(c2c(n.... |
8 | 1RGA | - | G | C10 H14 N5 O8 P | c1nc2c(n1[.... |
9 | 1RLS | - | 3GP | C10 H14 N5 O8 P | c1nc2c(n1[.... |
10 | 1LOW | - | 3GP | C10 H14 N5 O8 P | c1nc2c(n1[.... |
11 | 1I2F | - | 2GP | C10 H14 N5 O8 P | c1nc2c(n1[.... |
12 | 1DET | Kd = 50 uM | 2GP | C10 H14 N5 O8 P | c1nc2c(n1[.... |
13 | 1HZ1 | - | 2GP | C10 H14 N5 O8 P | c1nc2c(n1[.... |
14 | 5BIR | Kd = 255 uM | 2GP | C10 H14 N5 O8 P | c1nc2c(n1[.... |
15 | 1FZU | - | 2GP | C10 H14 N5 O8 P | c1nc2c(n1[.... |
16 | 1B2M | - | G U34 | n/a | n/a |
17 | 1BVI | - | 2GP | C10 H14 N5 O8 P | c1nc2c(n1[.... |
18 | 1I2E | - | 2GP | C10 H14 N5 O8 P | c1nc2c(n1[.... |
19 | 1G02 | - | 2GP | C10 H14 N5 O8 P | c1nc2c(n1[.... |
20 | 1BIR | Kd = 138 uM | 2GP | C10 H14 N5 O8 P | c1nc2c(n1[.... |
21 | 1RNT | Kd = 6.5 uM | 2GP | C10 H14 N5 O8 P | c1nc2c(n1[.... |
22 | 3BIR | Kd = 112 uM | 2GP | C10 H14 N5 O8 P | c1nc2c(n1[.... |
23 | 1CH0 | - | 2GP | C10 H14 N5 O8 P | c1nc2c(n1[.... |
24 | 1I3I | - | 2GP | C10 H14 N5 O8 P | c1nc2c(n1[.... |
25 | 4GSP | - | SGP | C10 H12 N5 O6 P S | c1nc2c(n1[.... |
26 | 2AAD | - | 2GP | C10 H14 N5 O8 P | c1nc2c(n1[.... |
27 | 5HOH | - | 2GP | C10 H14 N5 O8 P | c1nc2c(n1[.... |
28 | 3BU4 | - | 2GP | C10 H14 N5 O8 P | c1nc2c(n1[.... |
29 | 3SYU | Kd = 50 uM | 2GP | C10 H14 N5 O8 P | c1nc2c(n1[.... |
30 | 1I0V | - | 2GP | C10 H14 N5 O8 P | c1nc2c(n1[.... |
31 | 1RHL | - | 2GP | C10 H14 N5 O8 P | c1nc2c(n1[.... |
32 | 1I2G | - | 2GP | C10 H14 N5 O8 P | c1nc2c(n1[.... |
33 | 1I0X | - | 2GP | C10 H14 N5 O8 P | c1nc2c(n1[.... |
34 | 1RGK | Kd = 49.1 uM | 2AM | C10 H14 N5 O7 P | c1nc(c2c(n.... |
35 | 1I3F | - | 2GP | C10 H14 N5 O8 P | c1nc2c(n1[.... |
36 | 1LRA | - | 2GP | C10 H14 N5 O8 P | c1nc2c(n1[.... |
37 | 4HOH | - | 2GP | C10 H14 N5 O8 P | c1nc2c(n1[.... |
38 | 2RNT | - | GPG | C20 H25 N10 O12 P | c1nc2c(n1[.... |
39 | 2BU4 | - | 2GP | C10 H14 N5 O8 P | c1nc2c(n1[.... |
40 | 5BU4 | - | 2GP | C10 H14 N5 O8 P | c1nc2c(n1[.... |
41 | 2BIR | - | 2GP | C10 H14 N5 O8 P | c1nc2c(n1[.... |
42 | 1RGC | - | 3GP | C10 H14 N5 O8 P | c1nc2c(n1[.... |
43 | 1GSP | - | SGP | C10 H12 N5 O6 P S | c1nc2c(n1[.... |
44 | 2HOH | - | 2GP | C10 H14 N5 O8 P | c1nc2c(n1[.... |
45 | 1HYF | - | 2GP | C10 H14 N5 O8 P | c1nc2c(n1[.... |
46 | 7GSP | - | SGP | C10 H12 N5 O6 P S | c1nc2c(n1[.... |
47 | 3GSP | - | SGP | C10 H12 N5 O6 P S | c1nc2c(n1[.... |
48 | 3HOH | - | 2GP | C10 H14 N5 O8 P | c1nc2c(n1[.... |
49 | 1LOY | - | 3GP | C10 H14 N5 O8 P | c1nc2c(n1[.... |
50 | 1BU4 | - | 2GP | C10 H14 N5 O8 P | c1nc2c(n1[.... |
51 | 2GSP | - | SGP | C10 H12 N5 O6 P S | c1nc2c(n1[.... |
52 | 1RGL | Kd = 37 uM | 2GP | C10 H14 N5 O8 P | c1nc2c(n1[.... |
53 | 1TRQ | - | 2GP | C10 H14 N5 O8 P | c1nc2c(n1[.... |
54 | 4BU4 | - | 2GP | C10 H14 N5 O8 P | c1nc2c(n1[.... |
55 | 1RMS | - | 3GP | C10 H14 N5 O8 P | c1nc2c(n1[.... |
56 | 1RDS | - | GPC | C19 H24 F N8 O11 P | c1nc2c(n1[.... |
57 | 3AGO | - | 3AM | C10 H14 N5 O7 P | c1nc(c2c(n.... |
58 | 3AHW | - | 2AM | C10 H14 N5 O7 P | c1nc(c2c(n.... |
59 | 3AGN | - | 3AM | C10 H14 N5 O7 P | c1nc(c2c(n.... |
60 | 1FUT | - | 2GP | C10 H14 N5 O8 P | c1nc2c(n1[.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | 3GP | 1 | 1 |
2 | G3D | 0.753086 | 0.959459 |
3 | 2GP | 0.733333 | 0.959459 |
4 | GMP | 0.704225 | 0.853333 |
5 | G4P | 0.674419 | 0.959459 |
6 | 5GP | 0.65 | 0.959459 |
7 | G | 0.65 | 0.959459 |
8 | 0O2 | 0.644444 | 0.959459 |
9 | GDP | 0.611765 | 0.946667 |
10 | GNH | 0.604651 | 0.934211 |
11 | GP3 | 0.6 | 0.922078 |
12 | GSP | 0.595506 | 0.898734 |
13 | GP2 | 0.593023 | 0.910256 |
14 | GPG | 0.591398 | 0.935065 |
15 | GTP | 0.590909 | 0.946667 |
16 | G2P | 0.577778 | 0.910256 |
17 | GMV | 0.573034 | 0.922078 |
18 | ALF 5GP | 0.573034 | 0.864198 |
19 | P2G | 0.571429 | 0.932432 |
20 | GKE | 0.56701 | 0.935065 |
21 | GDD | 0.56701 | 0.935065 |
22 | GDC | 0.56701 | 0.935065 |
23 | GCP | 0.566667 | 0.922078 |
24 | GDP BEF | 0.566667 | 0.909091 |
25 | G1R | 0.566667 | 0.934211 |
26 | G C | 0.566038 | 0.898734 |
27 | GAV | 0.565217 | 0.910256 |
28 | GNP | 0.56044 | 0.922078 |
29 | GTP MG | 0.56044 | 0.933333 |
30 | 9GM | 0.56044 | 0.922078 |
31 | P1G | 0.55814 | 0.92 |
32 | GDP ALF | 0.536842 | 0.864198 |
33 | GDP AF3 | 0.536842 | 0.864198 |
34 | KB7 | 0.533333 | 0.825 |
35 | G2R | 0.53125 | 0.910256 |
36 | KBD | 0.525773 | 0.825 |
37 | SGP | 0.517241 | 0.871795 |
38 | GDR | 0.514852 | 0.910256 |
39 | GFB | 0.514852 | 0.910256 |
40 | GKD | 0.514563 | 0.935065 |
41 | YGP | 0.51 | 0.876543 |
42 | G3A | 0.509804 | 0.922078 |
43 | 6CK | 0.509804 | 0.8875 |
44 | BGO | 0.509259 | 0.898734 |
45 | U2G | 0.509259 | 0.911392 |
46 | DG | 0.505747 | 0.909091 |
47 | DGP | 0.505747 | 0.909091 |
48 | GH3 | 0.505263 | 0.946667 |
49 | KBJ | 0.504951 | 0.795181 |
50 | Y9Z | 0.504951 | 0.878049 |
51 | G5P | 0.504854 | 0.922078 |
52 | JB2 | 0.5 | 0.910256 |
53 | CG2 | 0.5 | 0.911392 |
54 | 3AM | 0.5 | 0.90411 |
55 | GTG | 0.5 | 0.8875 |
56 | GDX | 0.495238 | 0.922078 |
57 | GPD | 0.495238 | 0.876543 |
58 | GPX | 0.494845 | 0.92 |
59 | APC G U | 0.491379 | 0.909091 |
60 | GDP 7MG | 0.490385 | 0.886076 |
61 | DGI | 0.48913 | 0.897436 |
62 | JB3 | 0.486239 | 0.898734 |
63 | GGM | 0.482143 | 0.876543 |
64 | 35G | 0.478261 | 0.932432 |
65 | C2E | 0.478261 | 0.92 |
66 | PCG | 0.478261 | 0.932432 |
67 | 5GP 5GP | 0.473118 | 0.906667 |
68 | 2MD | 0.469027 | 0.845238 |
69 | DGT | 0.46875 | 0.897436 |
70 | NGD | 0.468468 | 0.910256 |
71 | FEG | 0.468468 | 0.855422 |
72 | ZGP | 0.464286 | 0.845238 |
73 | GPC | 0.456897 | 0.878049 |
74 | MGD | 0.456897 | 0.845238 |
75 | AKW | 0.455357 | 0.843373 |
76 | CAG | 0.444444 | 0.835294 |
77 | PGD O | 0.442623 | 0.806818 |
78 | TPG | 0.434426 | 0.797753 |
79 | DBG | 0.434426 | 0.898734 |
80 | G1R G1R | 0.434426 | 0.875 |
81 | I2C FE2 CMO CMO | 0.433333 | 0.786517 |
82 | UCG | 0.430894 | 0.910256 |
83 | MD1 | 0.429752 | 0.845238 |
84 | PGD | 0.429752 | 0.876543 |
85 | G1G | 0.425 | 0.876543 |
86 | FE9 | 0.421488 | 0.755319 |
87 | 4BW | 0.416667 | 0.92 |
88 | 1YD | 0.416667 | 0.92 |
89 | 3ZE | 0.410526 | 0.858974 |
90 | CGP | 0.410256 | 0.888889 |
91 | A3P | 0.402174 | 0.891892 |
92 | G4M | 0.401515 | 0.857143 |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | G | 1 | 1 |
2 | 5GP | 1 | 1 |
3 | GDP | 0.828947 | 0.986486 |
4 | GP3 | 0.815789 | 0.960526 |
5 | GP2 | 0.805195 | 0.948052 |
6 | GTP | 0.797468 | 0.986486 |
7 | GNH | 0.794872 | 0.973333 |
8 | G2P | 0.777778 | 0.948052 |
9 | GMV | 0.775 | 0.960526 |
10 | GCP | 0.765432 | 0.960526 |
11 | G1R | 0.765432 | 0.973333 |
12 | GAV | 0.759036 | 0.948052 |
13 | GSP | 0.756098 | 0.935897 |
14 | GNP | 0.756098 | 0.960526 |
15 | 9GM | 0.756098 | 0.960526 |
16 | ALF 5GP | 0.753086 | 0.9 |
17 | GDP BEF | 0.743902 | 0.947368 |
18 | GTP MG | 0.73494 | 0.972973 |
19 | GMP | 0.732394 | 0.866667 |
20 | GPG | 0.724138 | 0.948052 |
21 | G2R | 0.712644 | 0.948052 |
22 | GDP ALF | 0.701149 | 0.9 |
23 | GDP AF3 | 0.701149 | 0.9 |
24 | GKE | 0.692308 | 0.948052 |
25 | GDC | 0.692308 | 0.948052 |
26 | Y9Z | 0.692308 | 0.890244 |
27 | GDD | 0.692308 | 0.948052 |
28 | YGP | 0.681319 | 0.9125 |
29 | G3A | 0.677419 | 0.960526 |
30 | G5P | 0.670213 | 0.960526 |
31 | KB7 | 0.666667 | 0.8375 |
32 | GFB | 0.666667 | 0.948052 |
33 | GDR | 0.666667 | 0.948052 |
34 | GTG | 0.666667 | 0.924051 |
35 | 6CK | 0.659574 | 0.924051 |
36 | 3GP | 0.65 | 0.959459 |
37 | JB2 | 0.645833 | 0.948052 |
38 | GKD | 0.645833 | 0.948052 |
39 | GDX | 0.639175 | 0.960526 |
40 | GPD | 0.639175 | 0.9125 |
41 | GDP 7MG | 0.635417 | 0.923077 |
42 | G3D | 0.617977 | 0.972973 |
43 | U2G | 0.617647 | 0.924051 |
44 | KBD | 0.612903 | 0.8375 |
45 | 2GP | 0.609756 | 0.946667 |
46 | IMP | 0.609756 | 0.972603 |
47 | JB3 | 0.607843 | 0.935897 |
48 | CG2 | 0.605769 | 0.924051 |
49 | G4P | 0.604396 | 0.972973 |
50 | DG | 0.60241 | 0.922078 |
51 | DGP | 0.60241 | 0.922078 |
52 | NGD | 0.601942 | 0.948052 |
53 | FEG | 0.601942 | 0.890244 |
54 | ZGP | 0.596154 | 0.879518 |
55 | 0O2 | 0.595745 | 0.972973 |
56 | KBJ | 0.587629 | 0.807229 |
57 | 2MD | 0.584906 | 0.879518 |
58 | G7M | 0.583333 | 0.960526 |
59 | CAG | 0.583333 | 0.869048 |
60 | MGD | 0.568807 | 0.879518 |
61 | DBG | 0.566372 | 0.935897 |
62 | MD1 | 0.5625 | 0.879518 |
63 | PGD | 0.5625 | 0.9125 |
64 | P2G | 0.55814 | 0.894737 |
65 | FE9 | 0.553571 | 0.784946 |
66 | P1G | 0.545455 | 0.883117 |
67 | GH3 | 0.542553 | 0.96 |
68 | I2C FE2 CMO CMO | 0.539823 | 0.818182 |
69 | TPG | 0.53913 | 0.829545 |
70 | GPX | 0.53125 | 0.933333 |
71 | DGI | 0.527473 | 0.910256 |
72 | G1R G1R | 0.525862 | 0.911392 |
73 | PGD O | 0.521368 | 0.83908 |
74 | DGT | 0.521277 | 0.910256 |
75 | G4M | 0.520325 | 0.869048 |
76 | AKW | 0.513761 | 0.878049 |
77 | G C | 0.513514 | 0.911392 |
78 | 93A | 0.511364 | 0.821429 |
79 | IDP | 0.505495 | 0.959459 |
80 | MGQ | 0.505155 | 0.948052 |
81 | C2R | 0.5 | 0.893333 |
82 | A | 0.5 | 0.905405 |
83 | BGO | 0.5 | 0.911392 |
84 | AMZ | 0.5 | 0.905405 |
85 | AMP | 0.5 | 0.905405 |
86 | AIR | 0.493671 | 0.890411 |
87 | MGV | 0.49 | 0.901235 |
88 | QBQ | 0.489362 | 0.972973 |
89 | SGP | 0.488889 | 0.8375 |
90 | NIA | 0.488095 | 0.8375 |
91 | GPC | 0.474138 | 0.890244 |
92 | GGM | 0.473684 | 0.888889 |
93 | 71V | 0.47191 | 0.85 |
94 | R5I | 0.46875 | 0.933333 |
95 | MGP | 0.46875 | 0.948052 |
96 | R7I | 0.46875 | 0.933333 |
97 | C2E | 0.468085 | 0.933333 |
98 | PCG | 0.468085 | 0.945946 |
99 | 35G | 0.468085 | 0.945946 |
100 | G1G | 0.466102 | 0.9125 |
101 | 7RA | 0.465909 | 0.918919 |
102 | FAI | 0.465909 | 0.905405 |
103 | AAM | 0.465909 | 0.905405 |
104 | RMB | 0.465909 | 0.813333 |
105 | 1RB | 0.465116 | 0.824324 |
106 | 6G0 | 0.463918 | 0.948052 |
107 | 5GP 5GP | 0.463158 | 0.894737 |
108 | RBZ | 0.45977 | 0.815789 |
109 | UCG | 0.459016 | 0.923077 |
110 | APC G U | 0.458333 | 0.897436 |
111 | IMO | 0.449438 | 0.866667 |
112 | 6MZ | 0.444444 | 0.868421 |
113 | IRN | 0.443038 | 0.808219 |
114 | PMO | 0.43956 | 0.792208 |
115 | 7RP | 0.438202 | 0.864865 |
116 | NYZ | 0.4375 | 0.923077 |
117 | GTA | 0.436364 | 0.924051 |
118 | JLN | 0.433333 | 0.88 |
119 | P2P | 0.433333 | 0.842105 |
120 | CZF | 0.43299 | 0.92 |
121 | XMP | 0.428571 | 0.907895 |
122 | M7G A2M G | 0.427586 | 0.818182 |
123 | PGS | 0.425532 | 0.804878 |
124 | RVP | 0.423529 | 0.84 |
125 | G2Q | 0.423077 | 0.948052 |
126 | ADP | 0.419355 | 0.906667 |
127 | ABM | 0.417582 | 0.857143 |
128 | 45A | 0.417582 | 0.857143 |
129 | A2D | 0.417582 | 0.881579 |
130 | PRT | 0.416667 | 0.945946 |
131 | GUO | 0.415842 | 0.932432 |
132 | AT4 | 0.414894 | 0.871795 |
133 | AMP MG | 0.411111 | 0.866667 |
134 | CA0 | 0.410526 | 0.883117 |
135 | 2SA | 0.41 | 0.871795 |
136 | OK8 | 0.41 | 0.87013 |
137 | 1YD | 0.409091 | 0.933333 |
138 | 4BW | 0.409091 | 0.933333 |
139 | BA3 | 0.408602 | 0.881579 |
140 | AP2 | 0.408602 | 0.871795 |
141 | A12 | 0.408602 | 0.871795 |
142 | 6C6 | 0.408163 | 0.825 |
143 | 25A | 0.407767 | 0.906667 |
144 | NOS | 0.406977 | 0.813333 |
145 | ATP | 0.40625 | 0.906667 |
146 | KG4 | 0.40625 | 0.883117 |
147 | HEJ | 0.40625 | 0.906667 |
148 | B4P | 0.404255 | 0.881579 |
149 | AP5 | 0.404255 | 0.881579 |
150 | 6IA | 0.40404 | 0.785714 |
151 | ACQ | 0.40404 | 0.883117 |
152 | ANP | 0.40404 | 0.883117 |
153 | CGP | 0.403361 | 0.878049 |
154 | 3ZE | 0.402062 | 0.871795 |
155 | 5FA | 0.402062 | 0.906667 |
156 | APC | 0.402062 | 0.871795 |
157 | AQP | 0.402062 | 0.906667 |
158 | AN2 | 0.4 | 0.894737 |
159 | N6P | 0.4 | 0.853333 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | 101 | 0.9386 |
2 | A3G | 0.9375 |
3 | 103 | 0.9276 |
4 | CMP | 0.9217 |
5 | 75G | 0.9176 |
6 | T3P | 0.9095 |
7 | A3S | 0.9055 |
8 | SP1 | 0.9044 |
9 | 7CH | 0.9028 |
10 | RP1 | 0.9016 |
11 | UA3 | 0.9000 |
12 | 6J7 | 0.8997 |
13 | 6SW | 0.8990 |
14 | U3P | 0.8988 |
15 | UMF | 0.8935 |
16 | 6SZ | 0.8900 |
17 | ACK | 0.8900 |
18 | C3P | 0.8870 |
19 | 8MF | 0.8855 |
20 | 6SX | 0.8805 |
21 | TMP | 0.8801 |
22 | 2AM | 0.8781 |
23 | 4UO | 0.8764 |
24 | 2FA | 0.8762 |
25 | CD9 | 0.8724 |
26 | IMV | 0.8699 |
27 | GNG | 0.8654 |
28 | CL9 | 0.8637 |
29 | ADN | 0.8614 |
30 | KUP | 0.8567 |
31 | BGC BGC | 0.8546 |
32 | QRP | 0.8518 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | IMU | 0.9873 |
2 | EO7 | 0.9741 |
3 | IRP | 0.9705 |
4 | 6OG | 0.9662 |
5 | FMP | 0.9644 |
6 | LMS | 0.9642 |
7 | 5HM | 0.9627 |
8 | SRA | 0.9580 |
9 | D5M | 0.9554 |
10 | DI | 0.9544 |
11 | 6CG | 0.9535 |
12 | AS | 0.9519 |
13 | DA | 0.9516 |
14 | 8BR | 0.9516 |
15 | TMP | 0.9439 |
16 | 8OG | 0.9429 |
17 | 8GM | 0.9380 |
18 | 6MA | 0.9364 |
19 | 5HU | 0.9359 |
20 | NMN | 0.9355 |
21 | AOC | 0.9351 |
22 | 8OP | 0.9324 |
23 | BRU | 0.9319 |
24 | NCN | 0.9315 |
25 | N5O | 0.9301 |
26 | A3N | 0.9301 |
27 | 5AS | 0.9293 |
28 | Z8B | 0.9277 |
29 | ZAS | 0.9253 |
30 | 3DH | 0.9245 |
31 | TKW | 0.9226 |
32 | 5CM | 0.9226 |
33 | CNU | 0.9219 |
34 | U5P | 0.9216 |
35 | UFP | 0.9213 |
36 | 5FU | 0.9202 |
37 | FDM | 0.9196 |
38 | MTA | 0.9186 |
39 | PFU | 0.9182 |
40 | BVP | 0.9181 |
41 | NEC | 0.9166 |
42 | J7C | 0.9161 |
43 | 6RE | 0.9161 |
44 | 5BU | 0.9135 |
45 | NYM | 0.9128 |
46 | 7D5 | 0.9128 |
47 | C | 0.9124 |
48 | BMQ | 0.9115 |
49 | BMP | 0.9114 |
50 | C5P | 0.9107 |
51 | FNU | 0.9092 |
52 | 16B | 0.9080 |
53 | 3F5 | 0.9079 |
54 | UP6 | 0.9069 |
55 | 5IU | 0.9044 |
56 | MCF | 0.9029 |
57 | O8M | 0.9028 |
58 | QBT | 0.9007 |
59 | NUP | 0.9005 |
60 | CMP | 0.9005 |
61 | PRX | 0.9002 |
62 | UMP | 0.9002 |
63 | 2DT | 0.8989 |
64 | D4M | 0.8976 |
65 | H2U | 0.8976 |
66 | ATM | 0.8950 |
67 | MZP | 0.8948 |
68 | DCM | 0.8923 |
69 | U | 0.8917 |
70 | 9L3 | 0.8909 |
71 | UMC | 0.8908 |
72 | NWQ | 0.8908 |
73 | DSH | 0.8891 |
74 | PSU | 0.8885 |
75 | EP4 | 0.8883 |
76 | T3S | 0.8881 |
77 | SP1 | 0.8863 |
78 | CH | 0.8861 |
79 | FN5 | 0.8861 |
80 | M7G | 0.8859 |
81 | S5P | 0.8854 |
82 | 4X2 | 0.8849 |
83 | ADX | 0.8846 |
84 | M33 | 0.8835 |
85 | 6CN | 0.8830 |
86 | 6AU | 0.8828 |
87 | GJV | 0.8826 |
88 | DU | 0.8822 |
89 | DUS | 0.8821 |
90 | OMP | 0.8819 |
91 | JW5 | 0.8800 |
92 | 9PP | 0.8796 |
93 | DDN | 0.8785 |
94 | TXS | 0.8768 |
95 | GNG | 0.8759 |
96 | A4D | 0.8757 |
97 | U6M | 0.8756 |
98 | T3P | 0.8746 |
99 | IXF | 0.8739 |
100 | A3P | 0.8736 |
101 | O7E | 0.8733 |
102 | FMC | 0.8731 |
103 | DC | 0.8725 |
104 | CAR | 0.8721 |
105 | A2P | 0.8718 |
106 | ADN | 0.8712 |
107 | 6SW | 0.8707 |
108 | CL9 | 0.8698 |
109 | 2FA | 0.8696 |
110 | RP1 | 0.8682 |
111 | 2OM | 0.8678 |
112 | A8M | 0.8659 |
113 | M16 | 0.8655 |
114 | 43J | 0.8654 |
115 | MG7 | 0.8651 |
116 | 581 | 0.8650 |
117 | MTE | 0.8647 |
118 | DOC | 0.8630 |
119 | 43H | 0.8607 |
120 | NWW | 0.8594 |
121 | DBM | 0.8588 |
122 | 3BH | 0.8569 |
123 | AJ8 | 0.8565 |
124 | 5CD | 0.8557 |
125 | 5N5 | 0.8548 |
126 | GAP | 0.8544 |
127 | 6SX | 0.8537 |
128 | DAT | 0.8522 |
129 | RFZ | 0.8517 |
130 | 1BJ | 0.8511 |
This union binding pocket(no: 1) in the query (biounit: 1rnt.bio1) has 21 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |