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No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 197 families. | |||||
1 | 1Q3E | - | PCG | C10 H12 N5 O7 P | c1nc2c(n1[.... |
2 | 5KHH | Kd = 49.32 uM | 6SW | C10 H11 N4 O7 P | c1nc2c(n1[.... |
3 | 1Q43 | - | CMP | C10 H12 N5 O6 P | c1nc(c2c(n.... |
4 | 2Q0A | - | PCG | C10 H12 N5 O7 P | c1nc2c(n1[.... |
5 | 3ETQ | - | CMP | C10 H12 N5 O6 P | c1nc(c2c(n.... |
6 | 3BPZ | - | CMP | C10 H12 N5 O6 P | c1nc(c2c(n.... |
7 | 1Q5O | - | CMP | C10 H12 N5 O6 P | c1nc(c2c(n.... |
8 | 5KHI | Kd = 0.17 uM | 6SX | C10 H11 N4 O6 P | c1c2c(ncn1.... |
9 | 5KHK | Kd = 0.41 uM | 6SZ | C10 H12 N5 O6 P | c1c2c(nc(n.... |
10 | 5KHG | Kd = 20.23 uM | CC7 | C9 H12 N3 O7 P | C1[C@@H]2[.... |
11 | 3U10 | - | CMP | C10 H12 N5 O6 P | c1nc(c2c(n.... |
12 | 5KHJ | Kd = 1.33 uM | 6SY | C9 H11 N2 O8 P | C1[C@@H]2[.... |
13 | 4NVP | Kd = 27 nM | 7CH | C11 H13 N4 O6 P | c1cn(c2c1c.... |
14 | 3U11 | - | CMP | C10 H12 N5 O6 P | c1nc(c2c(n.... |
15 | 3OTF | Kd = 0.83 uM | CMP | C10 H12 N5 O6 P | c1nc(c2c(n.... |
16 | 2PTM | - | 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 165 families. | |||||
1 | 1Q3E | - | PCG | C10 H12 N5 O7 P | c1nc2c(n1[.... |
2 | 5KHH | Kd = 49.32 uM | 6SW | C10 H11 N4 O7 P | c1nc2c(n1[.... |
3 | 1Q43 | - | CMP | C10 H12 N5 O6 P | c1nc(c2c(n.... |
4 | 2Q0A | - | PCG | C10 H12 N5 O7 P | c1nc2c(n1[.... |
5 | 3ETQ | - | CMP | C10 H12 N5 O6 P | c1nc(c2c(n.... |
6 | 3BPZ | - | CMP | C10 H12 N5 O6 P | c1nc(c2c(n.... |
7 | 1Q5O | - | CMP | C10 H12 N5 O6 P | c1nc(c2c(n.... |
8 | 5KHI | Kd = 0.17 uM | 6SX | C10 H11 N4 O6 P | c1c2c(ncn1.... |
9 | 5KHK | Kd = 0.41 uM | 6SZ | C10 H12 N5 O6 P | c1c2c(nc(n.... |
10 | 5KHG | Kd = 20.23 uM | CC7 | C9 H12 N3 O7 P | C1[C@@H]2[.... |
11 | 3U10 | - | CMP | C10 H12 N5 O6 P | c1nc(c2c(n.... |
12 | 5KHJ | Kd = 1.33 uM | 6SY | C9 H11 N2 O8 P | C1[C@@H]2[.... |
13 | 4NVP | Kd = 27 nM | 7CH | C11 H13 N4 O6 P | c1cn(c2c1c.... |
14 | 3U11 | - | CMP | C10 H12 N5 O6 P | c1nc(c2c(n.... |
15 | 3OTF | Kd = 0.83 uM | CMP | C10 H12 N5 O6 P | c1nc(c2c(n.... |
16 | 2PTM | - | CMP | C10 H12 N5 O6 P | c1nc(c2c(n.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | 6SX | 1 | 1 |
2 | 6SZ | 0.62963 | 0.939394 |
3 | 2BA | 0.573171 | 0.939394 |
4 | CMP | 0.573171 | 0.953846 |
5 | 1OR | 0.505376 | 0.815789 |
6 | 7CH | 0.5 | 0.938462 |
7 | 6SW | 0.472527 | 0.884058 |
8 | N6R | 0.471154 | 0.898551 |
9 | N6S | 0.471154 | 0.898551 |
10 | 35G | 0.462366 | 0.847222 |
11 | C2E | 0.462366 | 0.861111 |
12 | PCG | 0.462366 | 0.847222 |
13 | 4BW | 0.443396 | 0.861111 |
14 | 1YD | 0.443396 | 0.861111 |
15 | 6JR | 0.428571 | 0.911765 |
16 | SP1 | 0.425287 | 0.885714 |
17 | RP1 | 0.425287 | 0.885714 |
18 | 1SY | 0.417391 | 0.861111 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | 75G | 0.9341 |
2 | 5GP | 0.9214 |
3 | CC7 | 0.9199 |
4 | 6SY | 0.9192 |
5 | AMP | 0.9133 |
6 | 0QX | 0.9031 |
7 | XYP XYS | 0.9010 |
8 | 6J7 | 0.8999 |
9 | ADN | 0.8961 |
10 | SIJ | 0.8950 |
11 | M77 | 0.8931 |
12 | C5Q | 0.8929 |
13 | JMQ | 0.8916 |
14 | 15I | 0.8897 |
15 | CWU | 0.8882 |
16 | LFK | 0.8876 |
17 | M01 | 0.8867 |
18 | IMH | 0.8847 |
19 | C4F | 0.8814 |
20 | CHJ | 0.8806 |
21 | 3GP | 0.8805 |
22 | 7ZO | 0.8790 |
23 | IGP | 0.8777 |
24 | HVE | 0.8771 |
25 | LOX XYP | 0.8771 |
26 | MBY | 0.8770 |
27 | AGV | 0.8770 |
28 | 5CK | 0.8766 |
29 | LVY | 0.8763 |
30 | TMP | 0.8756 |
31 | LRT | 0.8755 |
32 | 9KL | 0.8744 |
33 | NXB | 0.8739 |
34 | 3AD | 0.8732 |
35 | PRH | 0.8728 |
36 | HPR | 0.8728 |
37 | JCQ | 0.8725 |
38 | 5R9 | 0.8724 |
39 | XYP XYP | 0.8723 |
40 | MTA | 0.8722 |
41 | 8MF | 0.8716 |
42 | MQ1 | 0.8711 |
43 | 6WR | 0.8699 |
44 | IMP | 0.8688 |
45 | XYS XYS | 0.8670 |
46 | 5AD | 0.8664 |
47 | TYP | 0.8655 |
48 | 6EL | 0.8645 |
49 | 7XX | 0.8632 |
50 | CBJ | 0.8621 |
51 | AX8 | 0.8613 |
52 | IQP | 0.8610 |
53 | HFS | 0.8605 |
54 | FY8 | 0.8602 |
55 | FLF | 0.8579 |
56 | DOC | 0.8577 |
57 | 5CQ | 0.8560 |
58 | TKT | 0.8552 |
59 | SCE | 0.8540 |
60 | G | 0.8537 |
61 | TQ4 | 0.8529 |
This union binding pocket(no: 1) in the query (biounit: 4nvp.bio1) has 18 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 4AVB | CMP | 2.87081 |
2 | 4AVB | CMP | 2.87081 |
3 | 3SHR | CMP | 18.6603 |
4 | 3SHR | CMP | 18.6603 |
5 | 3SHR | CMP | 18.6603 |
6 | 3SHR | CMP | 18.6603 |
7 | 6HQ7 | PCG | 23.445 |
8 | 6HQ7 | PCG | 23.445 |
9 | 3OF1 | CMP | 25.8373 |
10 | 5KBF | CMP | 25.8373 |
11 | 1NE6 | SP1 | 25.8373 |
12 | 3OF1 | CMP | 25.8373 |
13 | 3OCP | CMP | 29.4964 |
14 | 3OCP | CMP | 29.4964 |
15 | 4KU7 | PCG | 32.0261 |
16 | 4OFG | PCG | 33.3333 |
17 | 5C8W | PCG | 33.5664 |
18 | 5C8W | PCG | 33.5664 |
19 | 5C8W | PCG | 33.5664 |
20 | 5C8W | PCG | 33.5664 |
21 | 5C8W | PCG | 33.5664 |
22 | 3PNA | CMP | 35.0649 |
23 | 3PNA | CMP | 35.0649 |
24 | 3PNA | CMP | 35.0649 |
25 | 3PNA | CMP | 35.0649 |
26 | 4MUV | PCG | 43.662 |
27 | 4MUV | PCG | 43.662 |
28 | 4MUV | PCG | 43.662 |
29 | 4MUV | PCG | 43.662 |
This union binding pocket(no: 2) in the query (biounit: 4nvp.bio1) has 18 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 3) in the query (biounit: 4nvp.bio1) has 18 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 4) in the query (biounit: 4nvp.bio1) has 18 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |