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- Structure Biounit | Ligand Information
- PDB : .ZIP | .CSV
- Family 90% : .ZIP | .CSV
- 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 | BMP | 1 | 1 |
2 | S5P | 0.692308 | 0.943662 |
3 | U6M | 0.681818 | 0.955882 |
4 | NUP | 0.681818 | 0.971014 |
5 | JW5 | 0.671642 | 0.942029 |
6 | 6AU | 0.642857 | 0.955882 |
7 | 6CN | 0.642857 | 0.928571 |
8 | OMP | 0.642857 | 0.955882 |
9 | O7M | 0.608108 | 0.928571 |
10 | O7E | 0.592105 | 0.928571 |
11 | BMQ | 0.573529 | 0.898551 |
12 | FNU | 0.534247 | 0.917808 |
13 | UP6 | 0.513889 | 0.847222 |
14 | U | 0.513889 | 0.955224 |
15 | U5P | 0.513889 | 0.955224 |
16 | 8OP | 0.5125 | 0.815789 |
17 | 8GM | 0.4875 | 0.868421 |
18 | H2U | 0.479452 | 0.873239 |
19 | 5FU | 0.466667 | 0.915493 |
20 | 5BU | 0.454545 | 0.915493 |
21 | 2OM | 0.448718 | 0.885714 |
22 | CNU | 0.4375 | 0.928571 |
23 | TKW | 0.417722 | 0.915493 |
24 | H6Y | 0.417582 | 0.828947 |
25 | 8OD | 0.41573 | 0.828947 |
26 | C5P | 0.405063 | 0.901408 |
27 | CAR | 0.405063 | 0.901408 |
28 | C | 0.405063 | 0.901408 |
29 | UTP | 0.404762 | 0.970149 |
30 | UDP | 0.402439 | 0.970149 |
31 | 44P | 0.4 | 0.928571 |
32 | U5F | 0.4 | 0.970149 |
33 | ICR | 0.4 | 0.821918 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | PSU | 0.9699 |
2 | UMP | 0.9657 |
3 | DUS | 0.9585 |
4 | CH | 0.9564 |
5 | 16B | 0.9555 |
6 | DCM | 0.9547 |
7 | DC | 0.9541 |
8 | PFU | 0.9532 |
9 | DU | 0.9504 |
10 | UMC | 0.9492 |
11 | TMP | 0.9421 |
12 | QBT | 0.9418 |
13 | UFP | 0.9416 |
14 | 5IU | 0.9411 |
15 | BRU | 0.9404 |
16 | C2R | 0.9396 |
17 | FN5 | 0.9382 |
18 | AMP | 0.9380 |
19 | 5CM | 0.9369 |
20 | IMP | 0.9368 |
21 | DOC | 0.9368 |
22 | DDN | 0.9361 |
23 | NIA | 0.9278 |
24 | FDM | 0.9264 |
25 | 2DT | 0.9256 |
26 | AMZ | 0.9256 |
27 | IRP | 0.9256 |
28 | D4M | 0.9254 |
29 | D5M | 0.9248 |
30 | DA | 0.9248 |
31 | FMP | 0.9241 |
32 | AS | 0.9235 |
33 | U4S | 0.9225 |
34 | 8BR | 0.9224 |
35 | NYM | 0.9223 |
36 | 5HM | 0.9204 |
37 | AIR | 0.9181 |
38 | N5O | 0.9145 |
39 | 9L3 | 0.9123 |
40 | G | 0.9114 |
41 | 5GP | 0.9108 |
42 | 5HU | 0.9098 |
43 | XMP | 0.9086 |
44 | 6MA | 0.9067 |
45 | NEC | 0.9062 |
46 | Z8B | 0.9031 |
47 | U3S | 0.9012 |
48 | T3S | 0.8985 |
49 | U1S | 0.8973 |
50 | IMU | 0.8953 |
51 | U2S | 0.8943 |
52 | DG | 0.8920 |
53 | O8M | 0.8853 |
54 | PZB | 0.8842 |
55 | ATM | 0.8840 |
56 | FAI | 0.8803 |
57 | 6RE | 0.8794 |
58 | J7C | 0.8794 |
59 | IRN | 0.8773 |
60 | GAR | 0.8769 |
61 | NMN | 0.8735 |
62 | MTA | 0.8727 |
63 | NCN | 0.8724 |
64 | TXS | 0.8711 |
65 | 2GE | 0.8669 |
66 | 8OG | 0.8659 |
67 | URI | 0.8659 |
68 | CDP | 0.8569 |
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 |