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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 | 7CH | 1 | 1 |
2 | KT2 | 0.633663 | 0.888889 |
3 | 2BA | 0.580247 | 0.969697 |
4 | CMP | 0.580247 | 0.984615 |
5 | 6SX | 0.5 | 0.938462 |
6 | TBN | 0.5 | 0.823529 |
7 | 1OR | 0.494624 | 0.794872 |
8 | 6SZ | 0.488636 | 0.969697 |
9 | C2E | 0.467391 | 0.888889 |
10 | PCG | 0.467391 | 0.875 |
11 | 35G | 0.467391 | 0.875 |
12 | MTH | 0.463415 | 0.774648 |
13 | 1YD | 0.447619 | 0.888889 |
14 | 4BW | 0.447619 | 0.888889 |
15 | 6SW | 0.445652 | 0.885714 |
16 | 6JR | 0.432692 | 0.913043 |
17 | N6S | 0.420561 | 0.9 |
18 | N6R | 0.420561 | 0.9 |
19 | SP1 | 0.413793 | 0.914286 |
20 | RP1 | 0.413793 | 0.914286 |
21 | 7DD | 0.413043 | 0.9 |
22 | 4UR | 0.412281 | 0.888889 |
23 | 1SY | 0.408696 | 0.888889 |
24 | 7DT | 0.4 | 0.9 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | 75G | 0.9354 |
2 | 5GP | 0.9345 |
3 | AMP | 0.9219 |
4 | 6J7 | 0.9140 |
5 | CC7 | 0.9123 |
6 | 6SY | 0.9105 |
7 | 3GP | 0.9028 |
8 | D5M | 0.8968 |
9 | 0QX | 0.8913 |
10 | IMH | 0.8889 |
11 | IMP | 0.8852 |
12 | CWU | 0.8841 |
13 | LFK | 0.8837 |
14 | LOX XYP | 0.8831 |
15 | DGP | 0.8825 |
16 | C5Q | 0.8822 |
17 | JMQ | 0.8822 |
18 | ADN | 0.8820 |
19 | TMP | 0.8816 |
20 | 9W8 | 0.8790 |
21 | 3AM | 0.8787 |
22 | LRT | 0.8782 |
23 | XYP XYS | 0.8779 |
24 | NXB | 0.8777 |
25 | 5N5 | 0.8766 |
26 | XYP XYP | 0.8760 |
27 | 7D5 | 0.8744 |
28 | MQ1 | 0.8738 |
29 | MTA | 0.8733 |
30 | XYS XYS | 0.8729 |
31 | M77 | 0.8718 |
32 | 5AD | 0.8717 |
33 | 9KL | 0.8715 |
34 | 8MF | 0.8696 |
35 | AGV | 0.8692 |
36 | CHJ | 0.8688 |
37 | IXG | 0.8667 |
38 | 7FZ | 0.8659 |
39 | HFS | 0.8657 |
40 | MBY | 0.8655 |
41 | 5CK | 0.8654 |
42 | 5ID | 0.8650 |
43 | PRH | 0.8648 |
44 | C4F | 0.8624 |
45 | TYP | 0.8624 |
46 | SIJ | 0.8620 |
47 | 5F1 | 0.8609 |
48 | 5FD | 0.8594 |
49 | 7ZO | 0.8591 |
50 | PZJ | 0.8590 |
51 | 8OG | 0.8587 |
52 | HPR | 0.8567 |
53 | F91 | 0.8562 |
54 | 6WR | 0.8515 |
55 | 7CS | 0.8512 |
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 |