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No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 261 families. | |||||
1 | 5EY4 | Kd = 0.00075 M | DTP | C10 H16 N5 O12 P3 | c1nc(c2c(n.... |
2 | 5EX5 | - | 7DD | C11 H16 N4 O10 P2 | c1cn(c2c1c.... |
3 | 5F1X | Kd = 0.000000064 M | ATP | C10 H16 N5 O13 P3 | c1nc(c2c(n.... |
4 | 3LDP | Kd = 2.41 uM | 3P1 | C20 H21 N7 O4 | c1ccc2c(c1.... |
5 | 5F2R | Kd = 0.000052 M | ACP | C11 H18 N5 O12 P3 | c1nc(c2c(n.... |
6 | 5EXW | Kd = 0.000000064 M | 7DT | C11 H17 N4 O13 P3 | c1cn(c2c1c.... |
7 | 3LDO | - | ANP | C10 H17 N6 O12 P3 | c1nc(c2c(n.... |
8 | 5EVZ | Kd = 0.000000064 M | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
9 | 3LDL | - | ATP | C10 H16 N5 O13 P3 | c1nc(c2c(n.... |
10 | 5F0X | - | DAT | C10 H15 N5 O9 P2 | c1nc(c2c(n.... |
11 | 3IUC | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
12 | 6ZYH | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
13 | 3GDQ | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
14 | 3JXU | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
15 | 6G3R | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
16 | 6P2U | - | NO7 | C13 H17 N5 O10 P2 | C#CCNc1c2c.... |
17 | 1KAZ | - | ATP | C10 H16 N5 O13 P3 | c1nc(c2c(n.... |
18 | 1QQN | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
19 | 1NGH | - | ATP | C10 H16 N5 O13 P3 | c1nc(c2c(n.... |
20 | 1ATR | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
21 | 1NGC | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
22 | 1NGF | - | ATP | C10 H16 N5 O13 P3 | c1nc(c2c(n.... |
23 | 1BA1 | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
24 | 3HSC | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
25 | 1BA0 | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
26 | 1QQO | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
27 | 2QWL | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
28 | 1NGG | - | ATP | C10 H16 N5 O13 P3 | c1nc(c2c(n.... |
29 | 6B1I | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
30 | 1ATS | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
31 | 1NGJ | - | ANP | C10 H17 N6 O12 P3 | c1nc(c2c(n.... |
32 | 1NGE | - | ATP | C10 H16 N5 O13 P3 | c1nc(c2c(n.... |
33 | 1KAY | - | ATP | C10 H16 N5 O13 P3 | c1nc(c2c(n.... |
34 | 1BUP | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
35 | 1QQM | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
36 | 6ZYJ | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
37 | 6B1N | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
38 | 1KAX | - | ATP | C10 H16 N5 O13 P3 | c1nc(c2c(n.... |
39 | 1NGD | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
40 | 2QWM | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
41 | 2BUP | - | ATP | C10 H16 N5 O13 P3 | c1nc(c2c(n.... |
42 | 1NGA | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
43 | 4H5T | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
44 | 1NGI | - | ANP | C10 H17 N6 O12 P3 | c1nc(c2c(n.... |
45 | 6B1M | - | ANP | C10 H17 N6 O12 P3 | c1nc(c2c(n.... |
46 | 1HPM | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
47 | 1NGB | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
48 | 5FPM | - | IWT | C8 H6 N2 O S | c1ccc(cc1).... |
49 | 5FPE | - | 3TR | C2 H4 N4 | c1[nH]nc(n.... |
50 | 3I33 | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
51 | 5FPD | - | PZA | C5 H5 N3 O | c1cnc(cn1).... |
52 | 3FE1 | - | ADP MG | n/a | n/a |
53 | 6ZYI | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
54 | 1HJO | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
55 | 6G3S | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
56 | 6FHK | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
57 | 3AY9 | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
58 | 5AQX | - | KC7 | C21 H23 N3 O4 | c1ccc(cc1).... |
59 | 5MKR | Ki = 17 uM | TI8 | C22 H25 Cl N6 O5 | C=CC(=O)OC.... |
60 | 5AR0 | Kd = 720 nM | GB8 | C20 H21 N7 O4 | c1cc2cc(cc.... |
61 | 5AQW | - | 5P7 | C14 H17 N3 O3 | c1ccc2c(c1.... |
62 | 5MKS | Ki = 17 uM | TI8 | C22 H25 Cl N6 O5 | C=CC(=O)OC.... |
63 | 3ATU | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
64 | 1S3X | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
65 | 5AQZ | Kd = 3.3 uM | SGV | C12 H15 N5 O5 | c1c(c2c(nc.... |
66 | 2E8A | - | ANP | C10 H17 N6 O12 P3 | c1nc(c2c(n.... |
67 | 3ATV | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
68 | 5AQY | - | ADN | C10 H13 N5 O4 | c1nc(c2c(n.... |
69 | 7A4V | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
70 | 6EOE | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
71 | 6EOF | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
72 | 3QFU | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
73 | 6RZQ | - | ANP | C10 H17 N6 O12 P3 | c1nc(c2c(n.... |
74 | 6S02 | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 214 families. | |||||
1 | 5EY4 | Kd = 0.00075 M | DTP | C10 H16 N5 O12 P3 | c1nc(c2c(n.... |
2 | 5EX5 | - | 7DD | C11 H16 N4 O10 P2 | c1cn(c2c1c.... |
3 | 5F1X | Kd = 0.000000064 M | ATP | C10 H16 N5 O13 P3 | c1nc(c2c(n.... |
4 | 3LDP | Kd = 2.41 uM | 3P1 | C20 H21 N7 O4 | c1ccc2c(c1.... |
5 | 5F2R | Kd = 0.000052 M | ACP | C11 H18 N5 O12 P3 | c1nc(c2c(n.... |
6 | 5EXW | Kd = 0.000000064 M | 7DT | C11 H17 N4 O13 P3 | c1cn(c2c1c.... |
7 | 3LDO | - | ANP | C10 H17 N6 O12 P3 | c1nc(c2c(n.... |
8 | 5EVZ | Kd = 0.000000064 M | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
9 | 3LDL | - | ATP | C10 H16 N5 O13 P3 | c1nc(c2c(n.... |
10 | 5F0X | - | DAT | C10 H15 N5 O9 P2 | c1nc(c2c(n.... |
11 | 3IUC | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
12 | 6ZYH | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
13 | 3GDQ | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
14 | 3JXU | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
15 | 6G3R | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
16 | 6P2U | - | NO7 | C13 H17 N5 O10 P2 | C#CCNc1c2c.... |
17 | 2V7Y | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
18 | 1KAZ | - | ATP | C10 H16 N5 O13 P3 | c1nc(c2c(n.... |
19 | 1QQN | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
20 | 1NGH | - | ATP | C10 H16 N5 O13 P3 | c1nc(c2c(n.... |
21 | 1ATR | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
22 | 1NGC | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
23 | 1NGF | - | ATP | C10 H16 N5 O13 P3 | c1nc(c2c(n.... |
24 | 1BA1 | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
25 | 3HSC | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
26 | 1BA0 | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
27 | 1QQO | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
28 | 2QWL | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
29 | 1NGG | - | ATP | C10 H16 N5 O13 P3 | c1nc(c2c(n.... |
30 | 6B1I | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
31 | 1ATS | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
32 | 1NGJ | - | ANP | C10 H17 N6 O12 P3 | c1nc(c2c(n.... |
33 | 1NGE | - | ATP | C10 H16 N5 O13 P3 | c1nc(c2c(n.... |
34 | 1KAY | - | ATP | C10 H16 N5 O13 P3 | c1nc(c2c(n.... |
35 | 1BUP | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
36 | 1QQM | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
37 | 6ZYJ | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
38 | 6B1N | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
39 | 1KAX | - | ATP | C10 H16 N5 O13 P3 | c1nc(c2c(n.... |
40 | 1NGD | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
41 | 2QWM | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
42 | 2BUP | - | ATP | C10 H16 N5 O13 P3 | c1nc(c2c(n.... |
43 | 1NGA | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
44 | 4H5T | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
45 | 1NGI | - | ANP | C10 H17 N6 O12 P3 | c1nc(c2c(n.... |
46 | 6B1M | - | ANP | C10 H17 N6 O12 P3 | c1nc(c2c(n.... |
47 | 1HPM | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
48 | 1NGB | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
49 | 5FPM | - | IWT | C8 H6 N2 O S | c1ccc(cc1).... |
50 | 5FPE | - | 3TR | C2 H4 N4 | c1[nH]nc(n.... |
51 | 3I33 | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
52 | 5FPD | - | PZA | C5 H5 N3 O | c1cnc(cn1).... |
53 | 6GFA | - | ATP | C10 H16 N5 O13 P3 | c1nc(c2c(n.... |
54 | 6ASY | - | ATP | C10 H16 N5 O13 P3 | c1nc(c2c(n.... |
55 | 3FE1 | - | ADP MG | n/a | n/a |
56 | 4GNI | - | ATP | C10 H16 N5 O13 P3 | c1nc(c2c(n.... |
57 | 6ZYI | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
58 | 1HJO | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
59 | 6G3S | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
60 | 6FHK | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
61 | 3AY9 | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
62 | 5AQX | - | KC7 | C21 H23 N3 O4 | c1ccc(cc1).... |
63 | 5MKR | Ki = 17 uM | TI8 | C22 H25 Cl N6 O5 | C=CC(=O)OC.... |
64 | 5AR0 | Kd = 720 nM | GB8 | C20 H21 N7 O4 | c1cc2cc(cc.... |
65 | 5AQW | - | 5P7 | C14 H17 N3 O3 | c1ccc2c(c1.... |
66 | 5MKS | Ki = 17 uM | TI8 | C22 H25 Cl N6 O5 | C=CC(=O)OC.... |
67 | 3ATU | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
68 | 1S3X | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
69 | 5AQZ | Kd = 3.3 uM | SGV | C12 H15 N5 O5 | c1c(c2c(nc.... |
70 | 2E8A | - | ANP | C10 H17 N6 O12 P3 | c1nc(c2c(n.... |
71 | 3ATV | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
72 | 5AQY | - | ADN | C10 H13 N5 O4 | c1nc(c2c(n.... |
73 | 4JN4 | - | ATP | C10 H16 N5 O13 P3 | c1nc(c2c(n.... |
74 | 4JNE | - | ATP | C10 H16 N5 O13 P3 | c1nc(c2c(n.... |
75 | 7A4V | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
76 | 6EOE | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
77 | 6EOF | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
78 | 5OBY | - | ANP | C10 H17 N6 O12 P3 | c1nc(c2c(n.... |
79 | 5OBW | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
80 | 5OBV | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
81 | 5OBU | - | ANP | C10 H17 N6 O12 P3 | c1nc(c2c(n.... |
82 | 5FPN | - | KYD | C6 H8 N2 O2 | Cc1c(c(n[n.... |
83 | 3QFU | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
84 | 6RZQ | - | ANP | C10 H17 N6 O12 P3 | c1nc(c2c(n.... |
85 | 6S02 | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | 7DD | 1 | 1 |
2 | 7DT | 0.901408 | 1 |
3 | TBN | 0.661765 | 0.842857 |
4 | ADP | 0.578313 | 0.985714 |
5 | MTH | 0.564103 | 0.77027 |
6 | ATP | 0.522727 | 0.985714 |
7 | HEJ | 0.522727 | 0.985714 |
8 | AQP | 0.516854 | 0.985714 |
9 | 5FA | 0.516854 | 0.985714 |
10 | ACQ | 0.516484 | 0.958333 |
11 | A2D | 0.505882 | 0.957747 |
12 | AP5 | 0.505747 | 0.957747 |
13 | B4P | 0.505747 | 0.957747 |
14 | 6YZ | 0.5 | 0.958333 |
15 | AN2 | 0.5 | 0.971831 |
16 | BA3 | 0.494253 | 0.957747 |
17 | ACP | 0.488889 | 0.958333 |
18 | APR | 0.483516 | 0.957747 |
19 | AR6 | 0.483516 | 0.957747 |
20 | AT4 | 0.483146 | 0.945205 |
21 | NO7 | 0.479167 | 0.918919 |
22 | 6AD | 0.478723 | 0.896104 |
23 | QBQ | 0.478723 | 0.918919 |
24 | AGS | 0.478261 | 0.932432 |
25 | M33 | 0.477778 | 0.944444 |
26 | HFD | 0.473118 | 0.932432 |
27 | JSQ | 0.473118 | 0.932432 |
28 | GDP | 0.468085 | 0.906667 |
29 | ANP | 0.468085 | 0.958333 |
30 | ADQ | 0.464646 | 0.931507 |
31 | AD9 | 0.462366 | 0.958333 |
32 | ITT | 0.461538 | 0.929577 |
33 | A22 | 0.459184 | 0.971831 |
34 | 25L | 0.456311 | 0.971831 |
35 | AMP | 0.453488 | 0.957143 |
36 | A | 0.453488 | 0.957143 |
37 | TAT | 0.452632 | 0.945205 |
38 | T99 | 0.452632 | 0.945205 |
39 | APC | 0.451613 | 0.945205 |
40 | PRX | 0.451613 | 0.88 |
41 | HQG | 0.44898 | 0.971831 |
42 | PAP | 0.446809 | 0.971429 |
43 | ATR | 0.446809 | 0.957143 |
44 | IDP | 0.446809 | 0.905405 |
45 | ADX | 0.445652 | 0.860759 |
46 | CA0 | 0.445652 | 0.931507 |
47 | ATF | 0.443299 | 0.945205 |
48 | OAD | 0.441176 | 0.931507 |
49 | 9X8 | 0.441176 | 0.906667 |
50 | KG4 | 0.44086 | 0.931507 |
51 | 50T | 0.44086 | 0.944444 |
52 | 2A5 | 0.43617 | 0.905405 |
53 | 4AD | 0.435644 | 0.906667 |
54 | 3OD | 0.432692 | 0.931507 |
55 | AMP MG | 0.431818 | 0.915493 |
56 | 8LQ | 0.43 | 0.893333 |
57 | 8OD | 0.427083 | 0.931507 |
58 | AIR | 0.426829 | 0.887324 |
59 | 25A | 0.425743 | 0.957747 |
60 | GTP | 0.424242 | 0.906667 |
61 | ABM | 0.422222 | 0.90411 |
62 | AAM | 0.422222 | 0.957143 |
63 | 45A | 0.422222 | 0.90411 |
64 | A3R | 0.421569 | 0.894737 |
65 | A1R | 0.421569 | 0.894737 |
66 | KMQ | 0.420561 | 0.918919 |
67 | ADP MG | 0.419355 | 0.929577 |
68 | ADP BEF | 0.419355 | 0.929577 |
69 | BIS | 0.419048 | 0.92 |
70 | 5AL | 0.418367 | 0.917808 |
71 | 8LE | 0.418367 | 0.881579 |
72 | 7D3 | 0.417582 | 0.891892 |
73 | JNT | 0.417476 | 0.931507 |
74 | 00A | 0.417476 | 0.87013 |
75 | QA7 | 0.415842 | 0.881579 |
76 | MGP | 0.414141 | 0.871795 |
77 | AP2 | 0.413043 | 0.945205 |
78 | A12 | 0.413043 | 0.945205 |
79 | 7CH | 0.413043 | 0.9 |
80 | OZV | 0.411765 | 0.957747 |
81 | OOB | 0.411765 | 0.917808 |
82 | 5SV | 0.411765 | 0.835443 |
83 | DAT | 0.410526 | 0.891892 |
84 | 6G0 | 0.41 | 0.871795 |
85 | 8LH | 0.41 | 0.893333 |
86 | SRP | 0.41 | 0.893333 |
87 | WAQ | 0.409524 | 0.87013 |
88 | NIA | 0.409091 | 0.810127 |
89 | CZF | 0.408163 | 0.917808 |
90 | AMO | 0.407767 | 0.918919 |
91 | GCP | 0.405941 | 0.883117 |
92 | 1ZZ | 0.40566 | 0.82716 |
93 | GNH | 0.40404 | 0.894737 |
94 | AHX | 0.403846 | 0.883117 |
95 | DLL | 0.403846 | 0.917808 |
96 | AMZ | 0.402299 | 0.902778 |
97 | C2R | 0.402299 | 0.890411 |
98 | 6MZ | 0.402174 | 0.916667 |
99 | ADP PO3 | 0.402062 | 0.929577 |
100 | APC MG | 0.402062 | 0.90411 |
101 | ATP MG | 0.402062 | 0.929577 |
102 | ADV | 0.402062 | 0.918919 |
103 | RBY | 0.402062 | 0.918919 |
104 | ANP MG | 0.4 | 0.917808 |
105 | 3UK | 0.4 | 0.905405 |
106 | ALF ADP | 0.4 | 0.857143 |
107 | SRA | 0.4 | 0.905405 |
108 | OMR | 0.4 | 0.839506 |
109 | AU1 | 0.4 | 0.958333 |
This union binding pocket(no: 2) in the query (biounit: 5exw.bio1) has 31 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |