- Navigate
- Expand All | Collapse All
- Receptor | Ligand | View in 3D
- Family: 90% | 70% | 50% | site
- External Links
- |
- Download
- 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 266 families. | |||||
1 | 4I09 | - | CMP | C10 H12 N5 O6 P | c1nc(c2c(n.... |
2 | 4HZF | - | CMP | C10 H12 N5 O6 P | c1nc(c2c(n.... |
3 | 2GZW | - | CMP | C10 H12 N5 O6 P | c1nc(c2c(n.... |
4 | 4I0B | - | CMP | C10 H12 N5 O6 P | c1nc(c2c(n.... |
5 | 1HW5 | - | CMP | C10 H12 N5 O6 P | c1nc(c2c(n.... |
6 | 4FT8 | - | CMP | C10 H12 N5 O6 P | c1nc(c2c(n.... |
7 | 1I5Z | - | CMP | C10 H12 N5 O6 P | c1nc(c2c(n.... |
8 | 1G6N | - | CMP | C10 H12 N5 O6 P | c1nc(c2c(n.... |
9 | 4I02 | - | CMP | C10 H12 N5 O6 P | c1nc(c2c(n.... |
10 | 1I6X | - | CMP | C10 H12 N5 O6 P | c1nc(c2c(n.... |
11 | 4I01 | - | CMP | C10 H12 N5 O6 P | c1nc(c2c(n.... |
12 | 4I0A | - | CMP | C10 H12 N5 O6 P | c1nc(c2c(n.... |
13 | 4R8H | - | SP1 | C10 H12 N5 O5 P S | c1nc(c2c(n.... |
14 | 4N9I | Kd = 25.6 uM | PCG | C10 H12 N5 O7 P | c1nc2c(n1[.... |
15 | 3KCC | - | CMP | C10 H12 N5 O6 P | c1nc(c2c(n.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 220 families. | |||||
1 | 4I09 | - | CMP | C10 H12 N5 O6 P | c1nc(c2c(n.... |
2 | 4HZF | - | CMP | C10 H12 N5 O6 P | c1nc(c2c(n.... |
3 | 2GZW | - | CMP | C10 H12 N5 O6 P | c1nc(c2c(n.... |
4 | 4I0B | - | CMP | C10 H12 N5 O6 P | c1nc(c2c(n.... |
5 | 1HW5 | - | CMP | C10 H12 N5 O6 P | c1nc(c2c(n.... |
6 | 4FT8 | - | CMP | C10 H12 N5 O6 P | c1nc(c2c(n.... |
7 | 1I5Z | - | CMP | C10 H12 N5 O6 P | c1nc(c2c(n.... |
8 | 1G6N | - | CMP | C10 H12 N5 O6 P | c1nc(c2c(n.... |
9 | 4I02 | - | CMP | C10 H12 N5 O6 P | c1nc(c2c(n.... |
10 | 1I6X | - | CMP | C10 H12 N5 O6 P | c1nc(c2c(n.... |
11 | 4I01 | - | CMP | C10 H12 N5 O6 P | c1nc(c2c(n.... |
12 | 4I0A | - | CMP | C10 H12 N5 O6 P | c1nc(c2c(n.... |
13 | 4R8H | - | SP1 | C10 H12 N5 O5 P S | c1nc(c2c(n.... |
14 | 4N9I | Kd = 25.6 uM | PCG | C10 H12 N5 O7 P | c1nc2c(n1[.... |
15 | 3KCC | - | CMP | C10 H12 N5 O6 P | c1nc(c2c(n.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | PCG | 1 | 1 |
2 | C2E | 1 | 0.986111 |
3 | 35G | 1 | 1 |
4 | 1YD | 0.806818 | 0.986111 |
5 | 4BW | 0.806818 | 0.986111 |
6 | 5GP 5GP | 0.743902 | 0.945205 |
7 | 4UR | 0.731959 | 0.986111 |
8 | KT2 | 0.669903 | 0.986111 |
9 | 6SW | 0.627907 | 0.957747 |
10 | 1YC | 0.616162 | 0.958333 |
11 | 6J7 | 0.58427 | 0.946667 |
12 | CMP | 0.534091 | 0.888889 |
13 | 2BA | 0.534091 | 0.902778 |
14 | GMP | 0.53012 | 0.84 |
15 | 1SY | 0.495575 | 0.986111 |
16 | SGP | 0.483871 | 0.835443 |
17 | 6SZ | 0.483871 | 0.902778 |
18 | 3GP | 0.478261 | 0.932432 |
19 | 1OR | 0.474747 | 0.729412 |
20 | G | 0.468085 | 0.945946 |
21 | 5GP | 0.468085 | 0.945946 |
22 | 7CH | 0.467391 | 0.875 |
23 | 6SX | 0.462366 | 0.847222 |
24 | 6JR | 0.457944 | 0.930556 |
25 | G2R | 0.457143 | 0.897436 |
26 | GPX | 0.451923 | 0.906667 |
27 | GP3 | 0.44898 | 0.934211 |
28 | 2GP | 0.446809 | 0.92 |
29 | GP2 | 0.444444 | 0.897436 |
30 | GDP | 0.444444 | 0.933333 |
31 | GNH | 0.44 | 0.921053 |
32 | KB7 | 0.44 | 0.790123 |
33 | P2G | 0.4375 | 0.893333 |
34 | G2P | 0.436893 | 0.897436 |
35 | GMV | 0.431373 | 0.909091 |
36 | GTP | 0.431373 | 0.933333 |
37 | ALF 5GP | 0.431373 | 0.851852 |
38 | GDP BEF | 0.427184 | 0.896104 |
39 | G1R | 0.427184 | 0.921053 |
40 | GCP | 0.427184 | 0.909091 |
41 | GTP MG | 0.423077 | 0.92 |
42 | G3D | 0.423077 | 0.945946 |
43 | GNP | 0.423077 | 0.909091 |
44 | 9GM | 0.423077 | 0.909091 |
45 | GSP | 0.423077 | 0.886076 |
46 | GDP AF3 | 0.420561 | 0.851852 |
47 | G4P | 0.415094 | 0.945946 |
48 | GAV | 0.415094 | 0.897436 |
49 | P1G | 0.414141 | 0.881579 |
50 | KBD | 0.412844 | 0.8125 |
51 | Y9Z | 0.410714 | 0.843373 |
52 | GDP ALF | 0.407407 | 0.851852 |
53 | N6R | 0.40708 | 0.818182 |
54 | N6S | 0.40708 | 0.818182 |
55 | G3A | 0.403509 | 0.934211 |
56 | YGP | 0.401786 | 0.8875 |
57 | GPG | 0.4 | 0.922078 |
58 | 0O2 | 0.4 | 0.945946 |
59 | G5P | 0.4 | 0.934211 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | 75G | 0.9865 |
2 | SP1 | 0.9780 |
3 | RP1 | 0.9758 |
4 | 6SY | 0.9252 |
5 | AMP | 0.9201 |
6 | DGP | 0.9192 |
7 | DG | 0.9192 |
8 | 0NH | 0.9188 |
9 | CC7 | 0.9146 |
10 | 94M | 0.9091 |
11 | TMP | 0.9018 |
12 | NYM | 0.9012 |
13 | 8OG | 0.9006 |
14 | UFP | 0.9000 |
15 | 8MF | 0.8998 |
16 | 71V | 0.8945 |
17 | ADN | 0.8933 |
18 | 5F7 | 0.8915 |
19 | 5HM | 0.8885 |
20 | 2DT | 0.8880 |
21 | D5M | 0.8871 |
22 | 4UO | 0.8870 |
23 | 5HU | 0.8863 |
24 | ZT2 | 0.8837 |
25 | MG7 | 0.8829 |
26 | 9PP | 0.8827 |
27 | ACJ | 0.8818 |
28 | IXG | 0.8818 |
29 | NOJ BGC | 0.8810 |
30 | CHJ | 0.8806 |
31 | TOP | 0.8786 |
32 | HFS | 0.8785 |
33 | INI | 0.8778 |
34 | LU2 | 0.8776 |
35 | 0QX | 0.8769 |
36 | MTA | 0.8760 |
37 | 8HG | 0.8759 |
38 | IMP | 0.8751 |
39 | 6OG | 0.8748 |
40 | QTJ | 0.8740 |
41 | LRT | 0.8739 |
42 | 9RK | 0.8736 |
43 | KMP | 0.8733 |
44 | D59 | 0.8732 |
45 | AGI | 0.8728 |
46 | TYP | 0.8726 |
47 | 2H4 | 0.8722 |
48 | M77 | 0.8717 |
49 | TCW | 0.8714 |
50 | 147 | 0.8713 |
51 | C4F | 0.8712 |
52 | UMP | 0.8712 |
53 | FDM | 0.8702 |
54 | CDY | 0.8701 |
55 | AX6 | 0.8699 |
56 | 3AM | 0.8690 |
57 | AJ8 | 0.8679 |
58 | XYP XYP | 0.8673 |
59 | IXE | 0.8663 |
60 | AJ6 | 0.8661 |
61 | XYP XYS | 0.8659 |
62 | 5AD | 0.8657 |
63 | XYS XYS | 0.8657 |
64 | NXB | 0.8655 |
65 | 3AD | 0.8648 |
66 | U5P | 0.8636 |
67 | KTM | 0.8627 |
68 | LOX XYP | 0.8620 |
69 | W72 | 0.8614 |
70 | 3WJ | 0.8612 |
71 | 3WK | 0.8610 |
72 | 8CS | 0.8608 |
73 | C5Q | 0.8607 |
74 | 4L2 | 0.8607 |
75 | 9W8 | 0.8603 |
76 | 7FZ | 0.8601 |
77 | 41L | 0.8596 |
78 | JA3 | 0.8593 |
79 | E2N | 0.8588 |
80 | BGC BGC | 0.8578 |
81 | C | 0.8573 |
82 | 69K | 0.8568 |
83 | MQ1 | 0.8564 |
84 | H52 | 0.8558 |
85 | FY8 | 0.8535 |
86 | 5YA | 0.8534 |
87 | PV0 | 0.8523 |
This union binding pocket(no: 2) in the query (biounit: 4n9i.bio2) has 111 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 3PNA | CMP | 1.94805 |
2 | 3PNA | CMP | 1.94805 |
3 | 5C8W | PCG | 9.79021 |
4 | 5C8W | PCG | 9.79021 |
5 | 5C8W | PCG | 9.79021 |
6 | 5C8W | PCG | 9.79021 |
7 | 5C8W | PCG | 9.79021 |
8 | 3OF1 | CMP | 20.9524 |
9 | 5KBF | CMP | 27.619 |
10 | 5KBF | CMP | 27.619 |
11 | 3OCP | CMP | 28.777 |
12 | 3OCP | CMP | 28.777 |
This union binding pocket(no: 3) in the query (biounit: 4n9i.bio1) has 88 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 5C8W | PCG | 9.79021 |
2 | 5C8W | PCG | 9.79021 |
3 | 5C8W | PCG | 9.79021 |
4 | 5C8W | PCG | 9.79021 |
5 | 5C8W | PCG | 9.79021 |
6 | 5C8W | PCG | 9.79021 |
7 | 3OF1 | CMP | 20.9524 |
8 | 5KBF | CMP | 27.619 |
9 | 5KBF | CMP | 27.619 |
10 | 3OCP | CMP | 28.777 |
11 | 3OCP | CMP | 28.777 |