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- Structure Biounit | Ligand Information
- 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 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 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 | GPC | 1 | 1 |
2 | CG2 | 0.68595 | 0.939759 |
3 | G C | 0.680328 | 0.927711 |
4 | G G G C | 0.635659 | 0.916667 |
5 | A G C C | 0.618321 | 0.915663 |
6 | G C C C | 0.61194 | 0.927711 |
7 | U2G | 0.565891 | 0.939759 |
8 | GPG | 0.558333 | 0.892857 |
9 | G G G RPC | 0.55303 | 0.880952 |
10 | G U | 0.537879 | 0.927711 |
11 | CDP | 0.509091 | 0.819277 |
12 | GNH | 0.5 | 0.869048 |
13 | CGP | 0.5 | 0.895349 |
14 | CDM | 0.495868 | 0.764045 |
15 | G3D | 0.495868 | 0.86747 |
16 | CTP | 0.495575 | 0.819277 |
17 | HF4 | 0.495575 | 0.819277 |
18 | UCG | 0.493056 | 0.915663 |
19 | C5G | 0.491803 | 0.821429 |
20 | GDP | 0.491525 | 0.879518 |
21 | 7XL | 0.491379 | 0.8 |
22 | G4P | 0.487805 | 0.86747 |
23 | 0O2 | 0.484127 | 0.86747 |
24 | GSP | 0.483607 | 0.83908 |
25 | GP3 | 0.483051 | 0.880952 |
26 | 2GP | 0.482456 | 0.86747 |
27 | CAR | 0.481481 | 0.829268 |
28 | C | 0.481481 | 0.829268 |
29 | C5P | 0.481481 | 0.829268 |
30 | A G U | 0.480263 | 0.916667 |
31 | GTP | 0.479339 | 0.879518 |
32 | C2G | 0.478992 | 0.809524 |
33 | 0RC | 0.478632 | 0.781609 |
34 | GCP | 0.47541 | 0.858824 |
35 | 91P | 0.474453 | 0.895349 |
36 | G | 0.474138 | 0.890244 |
37 | 5GP | 0.474138 | 0.890244 |
38 | GDD | 0.469231 | 0.892857 |
39 | GKE | 0.469231 | 0.892857 |
40 | GDC | 0.469231 | 0.892857 |
41 | CSQ | 0.46875 | 0.811765 |
42 | CSV | 0.46875 | 0.811765 |
43 | GMV | 0.467213 | 0.858824 |
44 | JB2 | 0.466165 | 0.870588 |
45 | A G U U | 0.464968 | 0.916667 |
46 | G1R | 0.463415 | 0.869048 |
47 | G U34 | 0.460432 | 0.916667 |
48 | 9GM | 0.459677 | 0.858824 |
49 | GNP | 0.459677 | 0.858824 |
50 | 3GP | 0.456897 | 0.878049 |
51 | GP2 | 0.454545 | 0.848837 |
52 | FN5 | 0.453237 | 0.848837 |
53 | G2R | 0.453125 | 0.848837 |
54 | CXY | 0.452381 | 0.8 |
55 | GAV | 0.452381 | 0.848837 |
56 | CDC | 0.451613 | 0.712766 |
57 | C C C C | 0.451613 | 0.819277 |
58 | YGP | 0.450382 | 0.883721 |
59 | 2TM | 0.449153 | 0.790698 |
60 | TPG | 0.445946 | 0.808511 |
61 | DC DG | 0.443662 | 0.873563 |
62 | GDR | 0.443609 | 0.870588 |
63 | GFB | 0.443609 | 0.870588 |
64 | GMP | 0.441441 | 0.795181 |
65 | 6CK | 0.440298 | 0.916667 |
66 | G2P | 0.436508 | 0.848837 |
67 | Y9Z | 0.43609 | 0.822222 |
68 | A U C C | 0.435065 | 0.880952 |
69 | GKD | 0.433824 | 0.892857 |
70 | UPU | 0.433333 | 0.792683 |
71 | GTG | 0.432836 | 0.850575 |
72 | G G | 0.432836 | 0.880952 |
73 | FEG | 0.432624 | 0.822222 |
74 | ALF 5GP | 0.432 | 0.872093 |
75 | A C A C | 0.431507 | 0.880952 |
76 | GPD | 0.430657 | 0.840909 |
77 | GDX | 0.430657 | 0.880952 |
78 | G3A | 0.42963 | 0.880952 |
79 | ZGP | 0.429577 | 0.813187 |
80 | C C | 0.427419 | 0.807229 |
81 | DG DC | 0.426667 | 0.862069 |
82 | G5P | 0.426471 | 0.880952 |
83 | JB3 | 0.425532 | 0.860465 |
84 | 1AA | 0.425373 | 0.835294 |
85 | U A C C | 0.421769 | 0.869048 |
86 | G1G | 0.418919 | 0.840909 |
87 | P1G | 0.418033 | 0.811765 |
88 | FE9 | 0.416107 | 0.767677 |
89 | GPX | 0.415385 | 0.833333 |
90 | AR3 | 0.415094 | 0.722892 |
91 | CTN | 0.415094 | 0.722892 |
92 | GCP G | 0.413534 | 0.833333 |
93 | PGD | 0.413333 | 0.862069 |
94 | P2G | 0.413223 | 0.821429 |
95 | NGD | 0.412587 | 0.870588 |
96 | ALF GDP | 0.412214 | 0.872093 |
97 | GDP AF3 | 0.412214 | 0.872093 |
98 | GDP ALF | 0.412214 | 0.872093 |
99 | CSF | 0.410959 | 0.848837 |
100 | GH3 | 0.410853 | 0.857143 |
101 | DGI | 0.408 | 0.816092 |
102 | C3P | 0.40708 | 0.817073 |
103 | 2AA | 0.406897 | 0.672897 |
104 | DGT | 0.40625 | 0.816092 |
105 | CAG | 0.405405 | 0.804348 |
106 | KB7 | 0.404762 | 0.772727 |
107 | BGO | 0.402778 | 0.83908 |
108 | PMT | 0.401408 | 0.75 |
109 | G A A A | 0.401361 | 0.880952 |
This union binding pocket(no: 1) in the query (biounit: 1rds.bio1) has 18 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |