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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 261 families. | |||||
1 | 1NE6 | - | SP1 | C10 H12 N5 O5 P S | c1nc(c2c(n.... |
2 | 1NE4 | - | RP1 | C10 H12 N5 O5 P S | c1nc(c2c(n.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 12 families. | |||||
1 | 3PNA | - | CMP | C10 H12 N5 O6 P | c1nc(c2c(n.... |
2 | 1NE6 | - | SP1 | C10 H12 N5 O5 P S | c1nc(c2c(n.... |
3 | 1NE4 | - | RP1 | C10 H12 N5 O5 P S | c1nc(c2c(n.... |
4 | 5KBF | Kd = 1.2 nM | CMP | C10 H12 N5 O6 P | c1nc(c2c(n.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | RP1 | 1 | 1 |
2 | SP1 | 1 | 1 |
3 | 2BA | 0.757143 | 0.915493 |
4 | CMP | 0.757143 | 0.928571 |
5 | 4BW | 0.580645 | 0.844156 |
6 | 1YD | 0.580645 | 0.844156 |
7 | Y3J | 0.542857 | 0.702703 |
8 | 5AD | 0.529412 | 0.722222 |
9 | QQX | 0.519481 | 0.90411 |
10 | ADN | 0.514286 | 0.77027 |
11 | XYA | 0.514286 | 0.77027 |
12 | RAB | 0.514286 | 0.77027 |
13 | 5CD | 0.513889 | 0.756757 |
14 | AF2 AF2 AF2 AF2 AF2 AF2 | 0.512195 | 0.789474 |
15 | 1SY | 0.509615 | 0.844156 |
16 | CC5 | 0.5 | 0.791667 |
17 | 4UR | 0.5 | 0.844156 |
18 | 5N5 | 0.5 | 0.746667 |
19 | NWW | 0.493151 | 0.712329 |
20 | A4D | 0.493151 | 0.77027 |
21 | MTA | 0.480519 | 0.75 |
22 | 75G | 0.476744 | 0.932432 |
23 | EP4 | 0.473684 | 0.708861 |
24 | 1OR | 0.472527 | 0.759036 |
25 | DTA | 0.467532 | 0.810811 |
26 | M2T | 0.467532 | 0.7125 |
27 | 7D7 | 0.458333 | 0.72 |
28 | ACK | 0.45679 | 0.835616 |
29 | 3AD | 0.453333 | 0.780822 |
30 | SRA | 0.451219 | 0.918919 |
31 | 1YC | 0.45098 | 0.818182 |
32 | NWQ | 0.45 | 0.693333 |
33 | 3DH | 0.45 | 0.75 |
34 | 3AM | 0.444444 | 0.851351 |
35 | KL2 | 0.443038 | 0.789474 |
36 | J7C | 0.440476 | 0.703704 |
37 | LMS | 0.439024 | 0.804878 |
38 | QQY | 0.439024 | 0.890411 |
39 | ZAS | 0.439024 | 0.721519 |
40 | A | 0.439024 | 0.864865 |
41 | AMP | 0.439024 | 0.864865 |
42 | 6RE | 0.433735 | 0.695122 |
43 | AMP MG | 0.433735 | 0.851351 |
44 | 2AM | 0.432099 | 0.84 |
45 | NEC | 0.428571 | 0.679487 |
46 | DSH | 0.428571 | 0.703704 |
47 | N5O | 0.428571 | 0.696203 |
48 | AOC | 0.428571 | 0.75 |
49 | A3G | 0.428571 | 0.730769 |
50 | 6SX | 0.425287 | 0.885714 |
51 | A3N | 0.423529 | 0.717949 |
52 | A2D | 0.423529 | 0.866667 |
53 | 45A | 0.423529 | 0.842105 |
54 | ABM | 0.423529 | 0.842105 |
55 | EEM | 0.419355 | 0.651163 |
56 | GJV | 0.418605 | 0.686747 |
57 | S4M | 0.418605 | 0.647727 |
58 | N5A | 0.418605 | 0.670886 |
59 | OVE | 0.416667 | 0.88 |
60 | ADX | 0.41573 | 0.82716 |
61 | 6SZ | 0.41573 | 0.915493 |
62 | BA3 | 0.413793 | 0.866667 |
63 | MAO | 0.413793 | 0.697674 |
64 | A12 | 0.413793 | 0.810127 |
65 | A3P | 0.413793 | 0.864865 |
66 | AP2 | 0.413793 | 0.810127 |
67 | 7CH | 0.413793 | 0.914286 |
68 | 50T | 0.411111 | 0.831169 |
69 | 5X8 | 0.411111 | 0.74026 |
70 | SFG | 0.411111 | 0.705128 |
71 | S7M | 0.410526 | 0.670588 |
72 | B4P | 0.409091 | 0.866667 |
73 | 5AS | 0.409091 | 0.758621 |
74 | AP5 | 0.409091 | 0.866667 |
75 | ADP | 0.409091 | 0.842105 |
76 | NWZ | 0.406593 | 0.682927 |
77 | APC | 0.406593 | 0.810127 |
78 | 5F1 | 0.405063 | 0.688312 |
79 | ADP MG | 0.404494 | 0.84 |
80 | A7D | 0.404494 | 0.753247 |
81 | ADP BEF | 0.404494 | 0.84 |
82 | A3S | 0.404494 | 0.74026 |
83 | AN2 | 0.404494 | 0.831169 |
84 | SON | 0.404494 | 0.810127 |
85 | AT4 | 0.404494 | 0.881579 |
86 | 7D5 | 0.402439 | 0.805195 |
87 | AGS | 0.402174 | 0.894737 |
88 | AD9 | 0.402174 | 0.820513 |
89 | SA8 | 0.402174 | 0.666667 |
90 | M33 | 0.4 | 0.831169 |
91 | CA0 | 0.4 | 0.820513 |
92 | MHZ | 0.4 | 0.659091 |
93 | N6S | 0.4 | 0.853333 |
94 | N6R | 0.4 | 0.853333 |
95 | AU1 | 0.4 | 0.820513 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | PCG | 0.9758 |
2 | 35G | 0.9756 |
3 | 6SW | 0.9691 |
4 | 6J7 | 0.9555 |
5 | CC7 | 0.9293 |
6 | 6SY | 0.9208 |
7 | IMH | 0.9100 |
8 | 5GP | 0.9062 |
9 | 8MF | 0.9030 |
10 | 3GP | 0.9016 |
11 | 1DA | 0.9014 |
12 | NOS | 0.9011 |
13 | D5M | 0.8998 |
14 | TBN | 0.8973 |
15 | NYM | 0.8944 |
16 | UFP | 0.8933 |
17 | TMP | 0.8922 |
18 | FMC | 0.8915 |
19 | PRH | 0.8897 |
20 | HPR | 0.8897 |
21 | MDR | 0.8889 |
22 | MTP | 0.8888 |
23 | 5ID | 0.8877 |
24 | DGP | 0.8868 |
25 | IMP | 0.8866 |
26 | 2DT | 0.8864 |
27 | C4F | 0.8840 |
28 | GMP | 0.8836 |
29 | UMP | 0.8826 |
30 | DU | 0.8825 |
31 | U | 0.8824 |
32 | C | 0.8824 |
33 | 9RK | 0.8822 |
34 | 0NH | 0.8809 |
35 | QNI | 0.8808 |
36 | LRT | 0.8790 |
37 | DCM | 0.8781 |
38 | 5HU | 0.8752 |
39 | U5P | 0.8747 |
40 | JMQ | 0.8742 |
41 | DDN | 0.8726 |
42 | C5P | 0.8723 |
43 | CH | 0.8723 |
44 | FDM | 0.8722 |
45 | 71V | 0.8722 |
46 | MBY | 0.8713 |
47 | VIB | 0.8711 |
48 | IXG | 0.8706 |
49 | F91 | 0.8692 |
50 | 7XX | 0.8686 |
51 | G | 0.8682 |
52 | AGV | 0.8662 |
53 | 8OG | 0.8592 |
54 | PV2 | 0.8590 |
55 | 4UO | 0.8556 |
56 | XDI | 0.8545 |
This union binding pocket(no: 1) in the query (biounit: 1ne6.bio1) has 17 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 6HQ7 | PCG | 14.4876 |
2 | 6HQ7 | PCG | 14.4876 |
3 | 3KCC | CMP | 18.0769 |
4 | 3KCC | CMP | 18.0769 |
5 | 2PTM | CMP | 22.7273 |
6 | 4NVP | 7CH | 25.8373 |
7 | 4MUV | PCG | 35.2113 |
8 | 4MUV | PCG | 35.2113 |
9 | 4MUV | PCG | 35.2113 |
10 | 4MUV | PCG | 35.2113 |
11 | 4OFG | PCG | 45.1389 |
12 | 3SHR | CMP | 46.9965 |
13 | 3SHR | CMP | 46.9965 |
14 | 5BV6 | 35G | 47.3684 |
15 | 4KU7 | PCG | 47.7124 |