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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 | 2GP | 1 | 1 |
2 | 3GP | 0.733333 | 0.959459 |
3 | GPG | 0.701149 | 0.948052 |
4 | GMP | 0.657534 | 0.866667 |
5 | G3D | 0.613636 | 0.972973 |
6 | G | 0.609756 | 0.946667 |
7 | 5GP | 0.609756 | 0.946667 |
8 | P2G | 0.590361 | 0.92 |
9 | GSP | 0.577778 | 0.911392 |
10 | GDP | 0.574713 | 0.96 |
11 | GNH | 0.568182 | 0.947368 |
12 | G4P | 0.565217 | 0.972973 |
13 | GP3 | 0.563218 | 0.935065 |
14 | P1G | 0.55814 | 0.907895 |
15 | GP2 | 0.556818 | 0.923077 |
16 | GTP | 0.555556 | 0.96 |
17 | G2P | 0.543478 | 0.923077 |
18 | 0O2 | 0.541667 | 0.972973 |
19 | GMV | 0.538462 | 0.935065 |
20 | GDC | 0.535354 | 0.948052 |
21 | GKE | 0.535354 | 0.948052 |
22 | GDD | 0.535354 | 0.948052 |
23 | G1R | 0.532609 | 0.947368 |
24 | GCP | 0.532609 | 0.935065 |
25 | GAV | 0.531915 | 0.923077 |
26 | GNP | 0.526882 | 0.935065 |
27 | 9GM | 0.526882 | 0.935065 |
28 | ALF 5GP | 0.521739 | 0.853659 |
29 | SGP | 0.517241 | 0.860759 |
30 | CG2 | 0.513761 | 0.924051 |
31 | U2G | 0.509259 | 0.924051 |
32 | DG | 0.505747 | 0.922078 |
33 | DGP | 0.505747 | 0.922078 |
34 | GH3 | 0.505263 | 0.96 |
35 | GCP G | 0.50505 | 0.907895 |
36 | G2R | 0.5 | 0.923077 |
37 | GKD | 0.5 | 0.948052 |
38 | GPX | 0.494845 | 0.959459 |
39 | GDP AF3 | 0.489796 | 0.853659 |
40 | ALF GDP | 0.489796 | 0.853659 |
41 | GDP ALF | 0.489796 | 0.853659 |
42 | DGI | 0.48913 | 0.935065 |
43 | 2AM | 0.487805 | 0.905405 |
44 | GDR | 0.485437 | 0.923077 |
45 | G G | 0.485437 | 0.910256 |
46 | GFB | 0.485437 | 0.923077 |
47 | GPC | 0.482456 | 0.86747 |
48 | G C | 0.482143 | 0.8875 |
49 | G3A | 0.480769 | 0.935065 |
50 | 6CK | 0.480769 | 0.9 |
51 | YGP | 0.480392 | 0.865854 |
52 | G U34 | 0.477477 | 0.876543 |
53 | G U | 0.477477 | 0.8875 |
54 | G5P | 0.47619 | 0.935065 |
55 | Y9Z | 0.475728 | 0.890244 |
56 | JB2 | 0.471698 | 0.923077 |
57 | GTG | 0.471154 | 0.9 |
58 | DGT | 0.46875 | 0.935065 |
59 | GDX | 0.46729 | 0.935065 |
60 | GPD | 0.46729 | 0.888889 |
61 | JB3 | 0.459459 | 0.911392 |
62 | G G G RPC | 0.45614 | 0.8625 |
63 | BGO | 0.455357 | 0.911392 |
64 | G A A A | 0.452174 | 0.910256 |
65 | DG DG | 0.45098 | 0.876543 |
66 | G1G | 0.449153 | 0.888889 |
67 | GDP 7MG | 0.448598 | 0.875 |
68 | PCG | 0.446809 | 0.92 |
69 | C2E | 0.446809 | 0.907895 |
70 | 35G | 0.446809 | 0.92 |
71 | FEG | 0.442478 | 0.845238 |
72 | 5GP 5GP | 0.442105 | 0.87013 |
73 | A G | 0.439655 | 0.897436 |
74 | ZGP | 0.438596 | 0.835294 |
75 | U A G G | 0.435897 | 0.897436 |
76 | G G G C | 0.433333 | 0.876543 |
77 | GGM | 0.431034 | 0.888889 |
78 | 2MD | 0.431034 | 0.857143 |
79 | UCG | 0.430894 | 0.898734 |
80 | NGD | 0.429825 | 0.923077 |
81 | AKW | 0.429825 | 0.855422 |
82 | A G C C | 0.429752 | 0.875 |
83 | APC G U | 0.428571 | 0.873418 |
84 | TPG | 0.422764 | 0.808989 |
85 | OVE | 0.420455 | 0.87013 |
86 | CAG | 0.420168 | 0.847059 |
87 | G C C C | 0.416 | 0.8875 |
88 | 3ZE | 0.410526 | 0.848101 |
89 | MGD | 0.408333 | 0.857143 |
90 | PGD | 0.406504 | 0.888889 |
91 | 1YD | 0.40367 | 0.907895 |
92 | 4BW | 0.40367 | 0.907895 |
93 | A2P | 0.402174 | 0.891892 |
94 | DBG | 0.4 | 0.911392 |
This union binding pocket(no: 1) in the query (biounit: 1rnt.bio1) has 21 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 4NFE | BEN | None |
2 | 4V03 | ADP | None |
3 | 4DXJ | 0M9 | None |
4 | 4DXJ | IPE | None |
5 | 5DY5 | 5GR | 1.92308 |
6 | 1SDW | IYT | 2.88462 |
7 | 3LQV | ADE | 3.84615 |
8 | 4URF | 1PS | 3.84615 |
9 | 3HCH | RSM | 3.84615 |
10 | 2H5Z | CTO | 4.80769 |
11 | 2XK9 | XK9 | 4.80769 |
12 | 1G1T | SIA GAL MAG FUC | 4.80769 |
13 | 6FTB | M0E | 4.80769 |
14 | 1ZX5 | LFR | 6.73077 |
15 | 1ION | ADP | 7.69231 |
16 | 3ZS9 | ADP ALF | 7.69231 |
17 | 4KS7 | X4Z | 8.56164 |
18 | 4GYI | ADP | 8.65385 |
19 | 5LNE | A2G GAL | 9.61539 |
20 | 5JWP | AKG | 9.61539 |
21 | 3DGY | 2GP | 10.3093 |
22 | 6FL8 | TIY | 10.5769 |
23 | 6FL8 | ADP | 10.5769 |
24 | 4N70 | 2HX | 11.5385 |
25 | 2DBX | GLU | 12.5 |
26 | 5WHU | SIA GAL GLC | 13.4615 |
27 | 6G1O | GLV | 15.3846 |
28 | 1JG9 | GLC | 23.0769 |
29 | 3BFV | ADP | 26.9231 |