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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 | GPG | 1 | 1 |
2 | GDP | 0.741573 | 0.961039 |
3 | GSP | 0.73913 | 0.91358 |
4 | GNH | 0.733333 | 0.948718 |
5 | GP3 | 0.730337 | 0.987013 |
6 | 5GP | 0.724138 | 0.948052 |
7 | G | 0.724138 | 0.948052 |
8 | GTP | 0.717391 | 0.961039 |
9 | CG2 | 0.71028 | 0.95 |
10 | U2G | 0.707547 | 0.95 |
11 | 2GP | 0.701149 | 0.948052 |
12 | GMV | 0.698925 | 0.936709 |
13 | GCP | 0.691489 | 0.936709 |
14 | G1R | 0.691489 | 0.948718 |
15 | 9GM | 0.684211 | 0.936709 |
16 | GNP | 0.684211 | 0.936709 |
17 | GDC | 0.683168 | 0.974359 |
18 | GKE | 0.683168 | 0.974359 |
19 | GDD | 0.683168 | 0.974359 |
20 | G2R | 0.666667 | 0.925 |
21 | GP2 | 0.666667 | 0.925 |
22 | GAV | 0.653061 | 0.925 |
23 | G2P | 0.649485 | 0.925 |
24 | GKD | 0.641509 | 0.974359 |
25 | GMP | 0.635294 | 0.87013 |
26 | ALF 5GP | 0.628866 | 0.857143 |
27 | GFB | 0.628571 | 0.949367 |
28 | GDR | 0.628571 | 0.949367 |
29 | YGP | 0.625 | 0.891566 |
30 | G3A | 0.622642 | 0.987013 |
31 | 6CK | 0.622642 | 0.925926 |
32 | GDP BEF | 0.622449 | 0.9 |
33 | Y9Z | 0.619048 | 0.892857 |
34 | G5P | 0.616822 | 0.987013 |
35 | GTP MG | 0.616162 | 0.923077 |
36 | GTG | 0.613208 | 0.95 |
37 | JB2 | 0.611111 | 0.949367 |
38 | GDX | 0.605505 | 0.961538 |
39 | GPD | 0.605505 | 0.914634 |
40 | GDP ALF | 0.592233 | 0.857143 |
41 | GDP AF3 | 0.592233 | 0.857143 |
42 | 3GP | 0.591398 | 0.935065 |
43 | G4P | 0.588235 | 0.948052 |
44 | G3D | 0.584158 | 0.948052 |
45 | 0O2 | 0.580952 | 0.948052 |
46 | JB3 | 0.578947 | 0.9375 |
47 | FEG | 0.573913 | 0.892857 |
48 | ZGP | 0.568965 | 0.882353 |
49 | NGD | 0.560345 | 0.974359 |
50 | KB7 | 0.56 | 0.819277 |
51 | 2MD | 0.559322 | 0.882353 |
52 | GPC | 0.558333 | 0.892857 |
53 | TPG | 0.556452 | 0.833333 |
54 | FE9 | 0.544715 | 0.770833 |
55 | GDP 7MG | 0.544643 | 0.925 |
56 | CAG | 0.532787 | 0.894118 |
57 | MGD | 0.532787 | 0.882353 |
58 | PGD | 0.528 | 0.914634 |
59 | KBD | 0.522936 | 0.864198 |
60 | DBG | 0.519685 | 0.962025 |
61 | MD1 | 0.515873 | 0.882353 |
62 | P2G | 0.515152 | 0.873418 |
63 | G C | 0.508197 | 0.91358 |
64 | KBJ | 0.504425 | 0.833333 |
65 | G1G | 0.5 | 0.938272 |
66 | GPX | 0.495413 | 0.910256 |
67 | G4M | 0.492647 | 0.916667 |
68 | 25A | 0.490741 | 0.909091 |
69 | GH3 | 0.490741 | 0.935897 |
70 | P1G | 0.490196 | 0.8625 |
71 | I2C FE2 CMO CMO | 0.484375 | 0.802198 |
72 | DGI | 0.47619 | 0.888889 |
73 | DGT | 0.472222 | 0.888889 |
74 | BGO | 0.471545 | 0.9375 |
75 | IDP | 0.471154 | 0.935065 |
76 | UCG | 0.469697 | 0.901235 |
77 | 25L | 0.464912 | 0.922078 |
78 | G1R G1R | 0.462121 | 0.9375 |
79 | DG | 0.460784 | 0.876543 |
80 | DGP | 0.460784 | 0.876543 |
81 | PGD O | 0.458647 | 0.842697 |
82 | QBQ | 0.457944 | 0.948052 |
83 | UPA | 0.455285 | 0.9 |
84 | IMP | 0.45098 | 0.922078 |
85 | GGM | 0.448819 | 0.914634 |
86 | AKW | 0.448 | 0.903614 |
87 | SGP | 0.442308 | 0.819277 |
88 | R7I | 0.440367 | 0.910256 |
89 | MGP | 0.440367 | 0.925 |
90 | R5I | 0.440367 | 0.910256 |
91 | M7G A2M G | 0.43871 | 0.822222 |
92 | 9BG | 0.4375 | 0.987013 |
93 | 6G0 | 0.436364 | 0.925 |
94 | G7M | 0.432692 | 0.9125 |
95 | APC G U | 0.425373 | 0.9 |
96 | CGP | 0.418605 | 0.880952 |
97 | A22 | 0.415929 | 0.922078 |
98 | GTA | 0.414634 | 0.95 |
99 | G2Q | 0.413793 | 0.925 |
100 | CZF | 0.409091 | 0.897436 |
101 | 38V | 0.408759 | 0.95 |
102 | AGS | 0.40367 | 0.864198 |
103 | OMC OMU OMG OMG U | 0.401361 | 0.880952 |
104 | 35G | 0.4 | 0.922078 |
105 | PCG | 0.4 | 0.922078 |
106 | C2E | 0.4 | 0.935065 |
No: | Ligand | Similarity coefficient |
---|
This union binding pocket(no: 1) in the query (biounit: 1rnt.bio1) has 21 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |