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- Structure Biounit | Ligand Information
- PDB : .ZIP | .CSV
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- Class : .ZIP | .CSV
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 | S5P | 1 | 1 |
2 | U6M | 0.707692 | 0.902778 |
3 | BMP | 0.692308 | 0.943662 |
4 | NUP | 0.681818 | 0.917808 |
5 | JW5 | 0.671642 | 0.890411 |
6 | 6AU | 0.642857 | 0.902778 |
7 | OMP | 0.642857 | 0.902778 |
8 | 6CN | 0.642857 | 0.878378 |
9 | O7E | 0.613333 | 0.878378 |
10 | O7M | 0.608108 | 0.878378 |
11 | BMQ | 0.573529 | 0.849315 |
12 | U5P | 0.535211 | 0.901408 |
13 | U | 0.535211 | 0.901408 |
14 | FNU | 0.534247 | 0.87013 |
15 | UP6 | 0.513889 | 0.802632 |
16 | 8OP | 0.5125 | 0.775 |
17 | 8GM | 0.4875 | 0.825 |
18 | H2U | 0.479452 | 0.826667 |
19 | 5FU | 0.466667 | 0.866667 |
20 | CNU | 0.455696 | 0.878378 |
21 | 5BU | 0.454545 | 0.866667 |
22 | 2OM | 0.448718 | 0.837838 |
23 | C | 0.423077 | 0.853333 |
24 | C5P | 0.423077 | 0.853333 |
25 | CAR | 0.423077 | 0.853333 |
26 | UDP | 0.419753 | 0.915493 |
27 | TKW | 0.417722 | 0.866667 |
28 | 44P | 0.417722 | 0.878378 |
29 | 8OD | 0.41573 | 0.7875 |
30 | 16B | 0.4125 | 0.820513 |
31 | UTP | 0.404762 | 0.915493 |
32 | H6Y | 0.402174 | 0.7875 |
33 | U5F | 0.4 | 0.915493 |
34 | 2KH | 0.4 | 0.890411 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | PSU | 0.9631 |
2 | UMP | 0.9389 |
3 | DUS | 0.9364 |
4 | DOC | 0.9351 |
5 | C2R | 0.9342 |
6 | UMC | 0.9340 |
7 | PFU | 0.9319 |
8 | DU | 0.9295 |
9 | TMP | 0.9291 |
10 | QBT | 0.9291 |
11 | FN5 | 0.9279 |
12 | 5IU | 0.9269 |
13 | DCM | 0.9235 |
14 | DC | 0.9235 |
15 | IMP | 0.9221 |
16 | D4M | 0.9202 |
17 | 2DT | 0.9201 |
18 | CH | 0.9198 |
19 | U4S | 0.9187 |
20 | AMP | 0.9167 |
21 | 5CM | 0.9135 |
22 | 9L3 | 0.9134 |
23 | UFP | 0.9128 |
24 | AIR | 0.9116 |
25 | 6MZ | 0.9111 |
26 | NIA | 0.9108 |
27 | IRP | 0.9108 |
28 | DDN | 0.9102 |
29 | FMP | 0.9098 |
30 | ICR | 0.9088 |
31 | AMZ | 0.9081 |
32 | 8BR | 0.9077 |
33 | D5M | 0.9071 |
34 | DA | 0.9071 |
35 | U1S | 0.9046 |
36 | 5HM | 0.9043 |
37 | 6MA | 0.8938 |
38 | AS | 0.8936 |
39 | N5O | 0.8922 |
40 | 5GP | 0.8919 |
41 | NEC | 0.8911 |
42 | NYM | 0.8907 |
43 | Z8B | 0.8903 |
44 | U3S | 0.8899 |
45 | FDM | 0.8895 |
46 | U2S | 0.8895 |
47 | T3S | 0.8859 |
48 | G | 0.8854 |
49 | O8M | 0.8834 |
50 | XMP | 0.8793 |
51 | IMU | 0.8783 |
52 | GAR | 0.8747 |
53 | 8OG | 0.8707 |
54 | 6RE | 0.8693 |
55 | J7C | 0.8693 |
56 | ATM | 0.8690 |
57 | NMN | 0.8568 |
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 |