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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 | 6SZ | 1 | 1 |
2 | 6SX | 0.62963 | 0.939394 |
3 | 2BA | 0.559524 | 0.970149 |
4 | CMP | 0.559524 | 0.984848 |
5 | 1OR | 0.494737 | 0.797468 |
6 | 7CH | 0.488636 | 0.969697 |
7 | 35G | 0.483871 | 0.902778 |
8 | PCG | 0.483871 | 0.902778 |
9 | C2E | 0.483871 | 0.916667 |
10 | 6SW | 0.462366 | 0.887324 |
11 | 4BW | 0.435185 | 0.916667 |
12 | 1YD | 0.435185 | 0.916667 |
13 | 6JR | 0.433962 | 0.942029 |
14 | RP1 | 0.41573 | 0.915493 |
15 | SP1 | 0.41573 | 0.915493 |
16 | 1SY | 0.410256 | 0.916667 |
17 | N6S | 0.409091 | 0.901408 |
18 | N6R | 0.409091 | 0.901408 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | 5GP | 0.9279 |
2 | 75G | 0.9260 |
3 | 6J7 | 0.9151 |
4 | CC7 | 0.8989 |
5 | 6SY | 0.8957 |
6 | 15I | 0.8934 |
7 | GMP | 0.8932 |
8 | 0QX | 0.8931 |
9 | AMP | 0.8915 |
10 | 3GP | 0.8900 |
11 | M77 | 0.8898 |
12 | XYP XYS | 0.8848 |
13 | 94M | 0.8848 |
14 | ADN | 0.8840 |
15 | TMP | 0.8839 |
16 | SIJ | 0.8826 |
17 | MG7 | 0.8817 |
18 | 2H4 | 0.8802 |
19 | 8MF | 0.8798 |
20 | 5F7 | 0.8777 |
21 | JMQ | 0.8776 |
22 | MQ1 | 0.8762 |
23 | C5Q | 0.8758 |
24 | DGP | 0.8758 |
25 | CWU | 0.8744 |
26 | NXB | 0.8738 |
27 | 5CK | 0.8703 |
28 | 6WU | 0.8702 |
29 | C4F | 0.8688 |
30 | LRT | 0.8680 |
31 | CDY | 0.8679 |
32 | 9KL | 0.8677 |
33 | INI | 0.8669 |
34 | TOP | 0.8667 |
35 | D5M | 0.8666 |
36 | 8OG | 0.8659 |
37 | FY8 | 0.8647 |
38 | MBY | 0.8641 |
39 | KMP | 0.8638 |
40 | MTA | 0.8638 |
41 | 5AD | 0.8637 |
42 | PRH | 0.8635 |
43 | HFS | 0.8603 |
44 | CBJ | 0.8597 |
45 | IQP | 0.8560 |
46 | CHJ | 0.8559 |
47 | 3WK | 0.8546 |
48 | IXG | 0.8544 |
49 | LVY | 0.8523 |
50 | XYP XYP | 0.8516 |
51 | TKT | 0.8513 |
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 |