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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 4 families. | |||||
1 | 2Q0E | - | GTP | C10 H16 N5 O14 P3 | c1nc2c(n1[.... |
2 | 2NOM | - | DUT | C9 H15 N2 O14 P3 | C1[C@@H]([.... |
3 | 2Q0F | - | U5P | C9 H13 N2 O9 P | C1=CN(C(=O.... |
4 | 2Q0C | - | CTP | C9 H16 N3 O14 P3 | C1=CN(C(=O.... |
5 | 2Q0G | - | UPU | C18 H23 N4 O14 P | C1=CN(C(=O.... |
6 | 2IKF | - | UTP | C9 H15 N2 O15 P3 | C1=CN(C(=O.... |
7 | 2Q0D | - | ATP | C10 H16 N5 O13 P3 | c1nc(c2c(n.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 4 families. | |||||
1 | 2Q0E | - | GTP | C10 H16 N5 O14 P3 | c1nc2c(n1[.... |
2 | 2NOM | - | DUT | C9 H15 N2 O14 P3 | C1[C@@H]([.... |
3 | 2Q0F | - | U5P | C9 H13 N2 O9 P | C1=CN(C(=O.... |
4 | 2Q0C | - | CTP | C9 H16 N3 O14 P3 | C1=CN(C(=O.... |
5 | 2Q0G | - | UPU | C18 H23 N4 O14 P | C1=CN(C(=O.... |
6 | 2IKF | - | UTP | C9 H15 N2 O15 P3 | C1=CN(C(=O.... |
7 | 2Q0D | - | ATP | C10 H16 N5 O13 P3 | c1nc(c2c(n.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | HF4 | 1 | 1 |
2 | CTP | 1 | 1 |
3 | CDP | 0.895522 | 1 |
4 | C5P | 0.753623 | 0.985507 |
5 | CAR | 0.753623 | 0.985507 |
6 | C | 0.753623 | 0.985507 |
7 | 0RC | 0.74026 | 0.918919 |
8 | 7XL | 0.74026 | 0.944444 |
9 | C2G | 0.734177 | 0.957747 |
10 | 2TM | 0.714286 | 0.958333 |
11 | C5G | 0.702381 | 0.944444 |
12 | CDM | 0.690476 | 0.894737 |
13 | CDC | 0.678571 | 0.82716 |
14 | CXY | 0.674419 | 0.944444 |
15 | CDP MG | 0.671053 | 0.942857 |
16 | UTP | 0.620253 | 0.942029 |
17 | 1AA | 0.617021 | 0.906667 |
18 | U5F | 0.6125 | 0.942029 |
19 | DCP | 0.609756 | 0.90411 |
20 | CTN | 0.608696 | 0.857143 |
21 | AR3 | 0.608696 | 0.857143 |
22 | A7R | 0.604167 | 0.931507 |
23 | GTF | 0.595238 | 0.90411 |
24 | 91P | 0.582524 | 0.851852 |
25 | I5A | 0.577465 | 0.816901 |
26 | DCT | 0.559524 | 0.90411 |
27 | UDP | 0.54321 | 0.942029 |
28 | CDP RB0 | 0.542553 | 0.917808 |
29 | 2AA | 0.542056 | 0.693878 |
30 | MCN | 0.542056 | 0.819277 |
31 | BUP | 0.541176 | 0.878378 |
32 | C3P | 0.538462 | 0.942857 |
33 | YYY | 0.52381 | 0.90411 |
34 | PMT | 0.52381 | 0.85 |
35 | GCQ | 0.523256 | 0.90411 |
36 | CSQ | 0.520408 | 0.905405 |
37 | CSV | 0.520408 | 0.905405 |
38 | 16B | 0.518519 | 0.917808 |
39 | PCD | 0.517544 | 0.781609 |
40 | FZQ | 0.511111 | 0.797619 |
41 | C2P | 0.5 | 0.957143 |
42 | GPC | 0.495575 | 0.819277 |
43 | FN5 | 0.495413 | 0.871795 |
44 | CSF | 0.491071 | 0.871795 |
45 | NCC | 0.482143 | 0.918919 |
46 | DKZ | 0.481013 | 0.746667 |
47 | HQ5 | 0.473684 | 0.758621 |
48 | 8GT | 0.473118 | 0.907895 |
49 | UNP | 0.47191 | 0.915493 |
50 | TKW | 0.46988 | 0.971429 |
51 | H6Y | 0.463158 | 0.855263 |
52 | G G 6MZ C | 0.460177 | 0.814815 |
53 | 5HM | 0.458824 | 0.958333 |
54 | G C | 0.45614 | 0.8375 |
55 | YSC | 0.455446 | 0.767442 |
56 | MGT | 0.453608 | 0.829268 |
57 | UDH | 0.452632 | 0.844156 |
58 | UPP | 0.452632 | 0.888889 |
59 | GDU | 0.447917 | 0.888889 |
60 | UFM | 0.447917 | 0.888889 |
61 | UPG | 0.447917 | 0.888889 |
62 | DCM | 0.447059 | 0.890411 |
63 | DC | 0.447059 | 0.890411 |
64 | UFG | 0.434343 | 0.842105 |
65 | UPF | 0.434343 | 0.842105 |
66 | U2F | 0.434343 | 0.842105 |
67 | U | 0.433735 | 0.927536 |
68 | U5P | 0.433735 | 0.927536 |
69 | URM | 0.43299 | 0.876712 |
70 | 660 | 0.43299 | 0.876712 |
71 | UP5 | 0.432432 | 0.857143 |
72 | 5GW | 0.431579 | 0.890411 |
73 | 0KX | 0.430108 | 0.88 |
74 | UPU | 0.430108 | 0.887324 |
75 | AWU | 0.428571 | 0.888889 |
76 | PRT | 0.424528 | 0.842105 |
77 | C5P SIA | 0.423729 | 0.893333 |
78 | DOC | 0.423529 | 0.890411 |
79 | G3N | 0.421569 | 0.890411 |
80 | G8D | 0.421053 | 0.907895 |
81 | UDX | 0.42 | 0.888889 |
82 | UAD | 0.42 | 0.888889 |
83 | 2KH | 0.417582 | 0.915493 |
84 | 3UC | 0.417476 | 0.842105 |
85 | 4GW | 0.415842 | 0.866667 |
86 | UGA | 0.411765 | 0.901408 |
87 | UGB | 0.411765 | 0.901408 |
88 | USQ | 0.411765 | 0.780488 |
89 | V12 | 0.411765 | 0.75 |
90 | CG2 | 0.410256 | 0.873418 |
91 | UGF | 0.407767 | 0.853333 |
92 | GEO | 0.407407 | 0.783784 |
93 | NVG | 0.403846 | 0.731707 |
94 | 44P | 0.402299 | 0.902778 |
95 | 8OD | 0.402062 | 0.855263 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | DCP MG | 0.9768 |
2 | ATP | 0.9340 |
3 | ANP | 0.9332 |
4 | BEF ADP | 0.9306 |
5 | DTP | 0.9261 |
6 | AGS | 0.9211 |
7 | GNP | 0.9164 |
8 | GTP | 0.9139 |
9 | GSP | 0.9100 |
10 | 523 | 0.9081 |
11 | DUT | 0.9057 |
12 | ADP ALF | 0.9037 |
13 | BEF GDP | 0.9014 |
14 | GCP | 0.9014 |
15 | ACP | 0.9009 |
16 | 9GM | 0.8976 |
17 | TTP | 0.8971 |
18 | GDP BEF | 0.8953 |
19 | DBG | 0.8952 |
20 | GDP AF3 | 0.8952 |
21 | ALF GDP | 0.8897 |
22 | APC | 0.8893 |
23 | GDP ALF | 0.8876 |
24 | 3AT | 0.8869 |
25 | ADP BEF | 0.8816 |
26 | DUP | 0.8797 |
27 | ALF ADP | 0.8743 |
28 | GH3 | 0.8739 |
29 | VO4 ADP | 0.8731 |
30 | D3T | 0.8678 |
31 | TYD | 0.8658 |
32 | DGT | 0.8611 |
33 | ADP AF3 | 0.8574 |
34 | SFG | 0.8566 |
35 | D4T | 0.8549 |
36 | AD9 | 0.8544 |
37 | SAM | 0.8538 |
38 | TLO | 0.8527 |