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No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 6 families. | |||||
1 | 3EWZ | ic50 = 79 uM | CNU | C10 H12 N3 O9 P | C1=C(C(=O).... |
2 | 3EX2 | ic50 ~ 200 uM | 6CN | C10 H12 N3 O9 P | C1=C(N(C(=.... |
3 | 2QCG | - | 5BU | C9 H12 Br N2 O9 P | C1=C(C(=O).... |
4 | 3MI2 | Ki = 0.00000079 M | PFU | C9 H14 N3 O9 P | C([C@@H]1[.... |
5 | 3L0N | ic50 = 1680 uM | S5P | C9 H13 N2 O9 P S | C1=C(N(C(=.... |
6 | 2QCL | - | OMP | C10 H13 N2 O11 P | C1=C(N(C(=.... |
7 | 3L0K | ic50 = 24 uM | 6AU | C11 H15 N2 O10 P | CC(=O)C1=C.... |
8 | 3EWY | - | U5P | C9 H13 N2 O9 P | C1=CN(C(=O.... |
9 | 3EX1 | - | U5P | C9 H13 N2 O9 P | C1=CN(C(=O.... |
10 | 3EX4 | - | BMP | C9 H13 N2 O10 P | C1=C(N(C(=.... |
11 | 2QCF | - | 5FU | C9 H12 F N2 O9 P | C1=C(C(=O).... |
12 | 2QCM | - | JW5 | C10 H15 N2 O10 P | C1=C(N(C(=.... |
13 | 2QCH | - | UMP | C9 H13 N2 O8 P | C1[C@@H]([.... |
14 | 3EWX | - | BMP | C9 H13 N2 O10 P | C1=C(N(C(=.... |
15 | 4HKP | - | TKW | C9 H14 N3 O9 P | C1=C(C(=NC.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 4 families. | |||||
1 | 3EWZ | ic50 = 79 uM | CNU | C10 H12 N3 O9 P | C1=C(C(=O).... |
2 | 3EX2 | ic50 ~ 200 uM | 6CN | C10 H12 N3 O9 P | C1=C(N(C(=.... |
3 | 2QCG | - | 5BU | C9 H12 Br N2 O9 P | C1=C(C(=O).... |
4 | 3MI2 | Ki = 0.00000079 M | PFU | C9 H14 N3 O9 P | C([C@@H]1[.... |
5 | 3L0N | ic50 = 1680 uM | S5P | C9 H13 N2 O9 P S | C1=C(N(C(=.... |
6 | 2QCL | - | OMP | C10 H13 N2 O11 P | C1=C(N(C(=.... |
7 | 3L0K | ic50 = 24 uM | 6AU | C11 H15 N2 O10 P | CC(=O)C1=C.... |
8 | 3EWY | - | U5P | C9 H13 N2 O9 P | C1=CN(C(=O.... |
9 | 3EX1 | - | U5P | C9 H13 N2 O9 P | C1=CN(C(=O.... |
10 | 3EX4 | - | BMP | C9 H13 N2 O10 P | C1=C(N(C(=.... |
11 | 2QCF | - | 5FU | C9 H12 F N2 O9 P | C1=C(C(=O).... |
12 | 2QCM | - | JW5 | C10 H15 N2 O10 P | C1=C(N(C(=.... |
13 | 2QCH | - | UMP | C9 H13 N2 O8 P | C1[C@@H]([.... |
14 | 3EWX | - | BMP | C9 H13 N2 O10 P | C1=C(N(C(=.... |
15 | 1DQX | Ki = 9 pM | BMP | C9 H13 N2 O10 P | C1=C(N(C(=.... |
16 | 3GDT | - | UP6 | C8 H12 N3 O9 P | C1=NN(C(=O.... |
17 | 3GDL | - | UP6 | C8 H12 N3 O9 P | C1=NN(C(=O.... |
18 | 4HKP | - | TKW | C9 H14 N3 O9 P | C1=C(C(=NC.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | 6CN | 1 | 1 |
2 | JW5 | 0.647887 | 0.928571 |
3 | BMP | 0.642857 | 0.928571 |
4 | S5P | 0.642857 | 0.878378 |
5 | U6M | 0.633803 | 0.942029 |
6 | NUP | 0.633803 | 0.902778 |
7 | OMP | 0.6 | 0.942029 |
8 | 6AU | 0.6 | 0.942029 |
9 | FNU | 0.581081 | 0.855263 |
10 | O7M | 0.56962 | 0.915493 |
11 | O7E | 0.555556 | 0.915493 |
12 | BMQ | 0.534247 | 0.885714 |
13 | CNU | 0.5 | 0.971014 |
14 | 8OP | 0.5 | 0.828947 |
15 | U5P | 0.480519 | 0.941176 |
16 | U | 0.480519 | 0.941176 |
17 | UP6 | 0.480519 | 0.887324 |
18 | 8GM | 0.47619 | 0.881579 |
19 | 5FU | 0.474359 | 0.902778 |
20 | H2U | 0.448718 | 0.861111 |
21 | 5BU | 0.444444 | 0.902778 |
22 | 2OM | 0.421687 | 0.873239 |
23 | 8OD | 0.408602 | 0.818182 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | PSU | 0.9388 |
2 | CH | 0.9345 |
3 | C | 0.9337 |
4 | C5P | 0.9309 |
5 | UMP | 0.9250 |
6 | 16B | 0.9205 |
7 | TKW | 0.9179 |
8 | DCM | 0.9141 |
9 | DC | 0.9141 |
10 | PFU | 0.9125 |
11 | DU | 0.9112 |
12 | IMP | 0.9084 |
13 | AMP | 0.9083 |
14 | UFP | 0.9071 |
15 | 5IU | 0.9060 |
16 | TMP | 0.9050 |
17 | FN5 | 0.9049 |
18 | DOC | 0.9040 |
19 | UMC | 0.9038 |
20 | QBT | 0.9011 |
21 | 8BR | 0.9004 |
22 | C2R | 0.9003 |
23 | DDN | 0.8968 |
24 | 5CM | 0.8961 |
25 | IRP | 0.8958 |
26 | FMP | 0.8950 |
27 | CAR | 0.8940 |
28 | 6MZ | 0.8940 |
29 | O8M | 0.8938 |
30 | D4M | 0.8918 |
31 | 2DT | 0.8918 |
32 | NIA | 0.8915 |
33 | 5HM | 0.8909 |
34 | AIR | 0.8907 |
35 | AMZ | 0.8865 |
36 | DA | 0.8857 |
37 | D5M | 0.8857 |
38 | NYM | 0.8852 |
39 | FDM | 0.8844 |
40 | 5GP | 0.8830 |
41 | G | 0.8830 |
42 | N5O | 0.8826 |
43 | 6MA | 0.8781 |
44 | XMP | 0.8771 |
45 | 9L3 | 0.8743 |
46 | NEC | 0.8742 |
47 | FAI | 0.8742 |
48 | T3S | 0.8730 |
This union binding pocket(no: 1) in the query (biounit: 3mi2.bio1) has 48 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 3mi2.bio1) has 47 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |