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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 | 6SW | 1 | 1 |
2 | PCG | 0.627907 | 0.957747 |
3 | 35G | 0.627907 | 0.957747 |
4 | C2E | 0.627907 | 0.944444 |
5 | 1YD | 0.524272 | 0.944444 |
6 | 4BW | 0.524272 | 0.944444 |
7 | NOS | 0.518519 | 0.819444 |
8 | 4UR | 0.495495 | 0.944444 |
9 | CMP | 0.494382 | 0.9 |
10 | 2BA | 0.494382 | 0.914286 |
11 | 6SX | 0.472527 | 0.884058 |
12 | KT2 | 0.465517 | 0.944444 |
13 | 6SZ | 0.462366 | 0.887324 |
14 | IMP | 0.456522 | 0.930556 |
15 | 5GP 5GP | 0.453608 | 0.90411 |
16 | 7CH | 0.445652 | 0.885714 |
17 | 1OR | 0.44 | 0.756098 |
18 | 6JR | 0.439252 | 0.942857 |
19 | IDP | 0.43299 | 0.917808 |
20 | 6J7 | 0.418367 | 0.906667 |
21 | R5I | 0.415842 | 0.917808 |
22 | R7I | 0.415842 | 0.917808 |
23 | 1SY | 0.415254 | 0.944444 |
24 | 1YC | 0.410714 | 0.916667 |
25 | SIB | 0.407767 | 0.75641 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | SP1 | 0.9871 |
2 | RP1 | 0.9691 |
3 | 5GP | 0.9448 |
4 | 75G | 0.9403 |
5 | AMP | 0.9342 |
6 | 6SY | 0.9236 |
7 | CC7 | 0.9210 |
8 | D5M | 0.9135 |
9 | 3GP | 0.8990 |
10 | ADN | 0.8968 |
11 | DGP | 0.8928 |
12 | IMH | 0.8909 |
13 | 7D5 | 0.8896 |
14 | LFK | 0.8893 |
15 | LOX XYP | 0.8893 |
16 | 0QX | 0.8880 |
17 | 9RK | 0.8875 |
18 | 5N5 | 0.8840 |
19 | 8OG | 0.8825 |
20 | TMP | 0.8823 |
21 | FMC | 0.8823 |
22 | XYP XYS | 0.8804 |
23 | 3AD | 0.8795 |
24 | LRT | 0.8780 |
25 | C5Q | 0.8778 |
26 | QTJ | 0.8769 |
27 | NXB | 0.8758 |
28 | 9W8 | 0.8756 |
29 | 2DT | 0.8754 |
30 | XYP XYP | 0.8754 |
31 | 5AD | 0.8744 |
32 | JMQ | 0.8727 |
33 | M77 | 0.8723 |
34 | G | 0.8707 |
35 | PRH | 0.8702 |
36 | AGV | 0.8701 |
37 | 5ID | 0.8688 |
38 | UFP | 0.8686 |
39 | MBY | 0.8685 |
40 | CHJ | 0.8684 |
41 | XYS XYS | 0.8681 |
42 | C4F | 0.8679 |
43 | MQ1 | 0.8673 |
44 | IXG | 0.8672 |
45 | 8MF | 0.8668 |
46 | MTA | 0.8654 |
47 | 5CK | 0.8626 |
48 | TYP | 0.8621 |
49 | 9KL | 0.8620 |
50 | 1OX | 0.8609 |
51 | TOP | 0.8596 |
52 | HFS | 0.8593 |
53 | PZJ | 0.8589 |
54 | F91 | 0.8549 |
55 | FMP | 0.8533 |
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 |