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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 = 49.1 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 | 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 |
This union binding pocket(no: 1) in the query (biounit: 1rnt.bio1) has 21 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |