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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 7 families. | |||||
1 | 5BV6 | Kd = 31 nM | 35G | C10 H12 N5 O7 P | c1nc2c(n1[.... |
2 | 5JIX | - | 6J7 | C10 H11 Br N5 O7 P | C1[C@@H]2[.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 3 families. | |||||
1 | 4OFG | - | PCG | C10 H12 N5 O7 P | c1nc2c(n1[.... |
2 | 5JAX | - | 6J7 | C10 H11 Br N5 O7 P | C1[C@@H]2[.... |
3 | 5J48 | - | 6FW | C16 H15 Cl N5 O7 P S | c1cc(ccc1S.... |
4 | 5KJY | - | CMP | C10 H12 N5 O6 P | c1nc(c2c(n.... |
5 | 5KJX | - | CMP | C10 H12 N5 O6 P | c1nc(c2c(n.... |
6 | 5KJZ | - | PCG | C10 H12 N5 O7 P | c1nc2c(n1[.... |
7 | 5T3N | Kd = 9.1 nM | 75G | C10 H11 Cl N5 O5 P S | c1nc2c(nc(.... |
8 | 5K8S | Kd = 6 nM | CMP | C10 H12 N5 O6 P | c1nc(c2c(n.... |
9 | 5BV6 | Kd = 31 nM | 35G | C10 H12 N5 O7 P | c1nc2c(n1[.... |
10 | 5JIX | - | 6J7 | C10 H11 Br N5 O7 P | C1[C@@H]2[.... |
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 | 0.9840 |
2 | SP1 | 0.9760 |
3 | RP1 | 0.9756 |
4 | CC7 | 0.9151 |
5 | AMP | 0.9100 |
6 | 8MF | 0.9053 |
7 | 6SY | 0.9033 |
8 | 0NH | 0.9032 |
9 | 9PP | 0.9019 |
10 | CJN | 0.8998 |
11 | 7FZ | 0.8977 |
12 | DGP | 0.8960 |
13 | MG7 | 0.8947 |
14 | NYM | 0.8929 |
15 | TMP | 0.8923 |
16 | UFP | 0.8917 |
17 | AGI | 0.8907 |
18 | DG | 0.8903 |
19 | IMH | 0.8901 |
20 | 5HM | 0.8887 |
21 | 94M | 0.8882 |
22 | 3AM | 0.8871 |
23 | 71V | 0.8859 |
24 | 3WK | 0.8851 |
25 | LU2 | 0.8827 |
26 | NXB | 0.8827 |
27 | IMK | 0.8826 |
28 | 5HU | 0.8808 |
29 | ADN | 0.8806 |
30 | 8OG | 0.8804 |
31 | 1Q4 | 0.8804 |
32 | MQ1 | 0.8799 |
33 | D5M | 0.8798 |
34 | LRT | 0.8798 |
35 | 3AD | 0.8786 |
36 | IXG | 0.8774 |
37 | 0QX | 0.8773 |
38 | NOJ BGC | 0.8760 |
39 | 2DT | 0.8758 |
40 | INI | 0.8758 |
41 | 47X | 0.8757 |
42 | 9W8 | 0.8755 |
43 | HFS | 0.8752 |
44 | C4F | 0.8747 |
45 | 6QX | 0.8740 |
46 | KS5 | 0.8739 |
47 | 9RK | 0.8736 |
48 | TOP | 0.8734 |
49 | GEN | 0.8733 |
50 | 4UO | 0.8732 |
51 | KMP | 0.8713 |
52 | 147 | 0.8712 |
53 | TCW | 0.8708 |
54 | IMP | 0.8704 |
55 | 6EL | 0.8703 |
56 | AX6 | 0.8699 |
57 | 8CS | 0.8699 |
58 | FZB | 0.8697 |
59 | CWE | 0.8693 |
60 | M77 | 0.8691 |
61 | J5Z | 0.8691 |
62 | JZ8 | 0.8691 |
63 | NAR | 0.8690 |
64 | E2N | 0.8687 |
65 | F1T | 0.8686 |
66 | LVY | 0.8685 |
67 | W72 | 0.8681 |
68 | QUE | 0.8680 |
69 | 697 | 0.8679 |
70 | H52 | 0.8671 |
71 | 205 | 0.8667 |
72 | 6OG | 0.8665 |
73 | IXE | 0.8661 |
74 | D59 | 0.8659 |
75 | AJ8 | 0.8658 |
76 | XYS XYS | 0.8657 |
77 | DH2 | 0.8656 |
78 | 6WU | 0.8650 |
79 | AJ6 | 0.8650 |
80 | XYP XYP | 0.8647 |
81 | FY8 | 0.8647 |
82 | 3WN | 0.8640 |
83 | 3WO | 0.8640 |
84 | PRH | 0.8640 |
85 | Y70 | 0.8639 |
86 | SIJ | 0.8638 |
87 | 5YA | 0.8638 |
88 | 2H4 | 0.8636 |
89 | TVZ | 0.8635 |
90 | EF2 | 0.8633 |
91 | MTA | 0.8631 |
92 | OAK | 0.8625 |
93 | 5FD | 0.8622 |
94 | BK4 | 0.8607 |
95 | UMP | 0.8606 |
96 | CHJ | 0.8602 |
97 | 5P7 | 0.8588 |
98 | 5AD | 0.8576 |
99 | DQH | 0.8576 |
100 | FDM | 0.8573 |
101 | C | 0.8573 |
102 | OJ7 | 0.8565 |
103 | XYP XYS | 0.8560 |
104 | LOX XYP | 0.8558 |
105 | C5Q | 0.8556 |
106 | NQE | 0.8555 |
107 | 3JC | 0.8554 |
108 | NQK | 0.8546 |
109 | 1FL | 0.8544 |
110 | BK2 | 0.8534 |
This union binding pocket(no: 1) in the query (biounit: 5bv6.bio1) has 21 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 4MUV | PCG | 32.3944 |
2 | 4MUV | PCG | 32.3944 |
3 | 4MUV | PCG | 32.3944 |
4 | 4MUV | PCG | 32.3944 |
5 | 3PNA | CMP | 38.1579 |
6 | 3PNA | CMP | 38.1579 |
7 | 2PTM | CMP | 38.8158 |
8 | 1CX4 | CMP | 47.3684 |
9 | 1NE6 | SP1 | 47.3684 |
10 | 1NE6 | SP1 | 47.3684 |