- Navigate
- Expand All | Collapse All
- Receptor | Ligand | View in 3D
- Family: 90% | 70% | 50% | site
- External Links
- |
- Download
- 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 | CNU | 1 | 1 |
2 | 5FU | 0.666667 | 0.902778 |
3 | 5BU | 0.647887 | 0.902778 |
4 | U | 0.540541 | 0.941176 |
5 | U5P | 0.540541 | 0.941176 |
6 | 6CN | 0.5 | 0.971014 |
7 | BUP | 0.5 | 0.890411 |
8 | 5GW | 0.47191 | 0.929577 |
9 | 5HM | 0.469136 | 0.917808 |
10 | D1M | 0.467532 | 0.777778 |
11 | TKW | 0.4625 | 0.929577 |
12 | S5P | 0.455696 | 0.878378 |
13 | CAR | 0.45 | 0.915493 |
14 | C | 0.45 | 0.915493 |
15 | C5P | 0.45 | 0.915493 |
16 | H2U | 0.448718 | 0.861111 |
17 | FNU | 0.444444 | 0.855263 |
18 | 44P | 0.444444 | 0.888889 |
19 | UP6 | 0.443038 | 0.861111 |
20 | 16B | 0.439024 | 0.878378 |
21 | BMP | 0.4375 | 0.928571 |
22 | 4GW | 0.4375 | 0.90411 |
23 | BMQ | 0.435897 | 0.885714 |
24 | 5UD | 0.432432 | 0.77027 |
25 | U6M | 0.432099 | 0.942029 |
26 | NUP | 0.432099 | 0.902778 |
27 | UDP | 0.428571 | 0.927536 |
28 | D1J | 0.428571 | 0.736842 |
29 | JW5 | 0.426829 | 0.928571 |
30 | ICR | 0.426829 | 0.810811 |
31 | UTP | 0.413793 | 0.927536 |
32 | 6AU | 0.411765 | 0.942029 |
33 | OMP | 0.411765 | 0.942029 |
34 | 2KH | 0.409091 | 0.901408 |
35 | U5F | 0.409091 | 0.927536 |
36 | 2OM | 0.404762 | 0.873239 |
37 | 2GW | 0.403846 | 0.890411 |
38 | UNP | 0.4 | 0.901408 |
39 | 8OP | 0.4 | 0.805195 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | 5IU | 0.9679 |
2 | BRU | 0.9522 |
3 | 5HU | 0.9486 |
4 | TMP | 0.9453 |
5 | UFP | 0.9440 |
6 | 5CM | 0.9428 |
7 | IMP | 0.9395 |
8 | QBT | 0.9390 |
9 | NCN | 0.9356 |
10 | NMN | 0.9351 |
11 | 2DT | 0.9349 |
12 | AMP | 0.9342 |
13 | D4M | 0.9339 |
14 | FMP | 0.9323 |
15 | 5GP | 0.9319 |
16 | 8GM | 0.9312 |
17 | IMU | 0.9278 |
18 | FDM | 0.9267 |
19 | 8OG | 0.9230 |
20 | XMP | 0.9222 |
21 | BVP | 0.9219 |
22 | G | 0.9219 |
23 | UMP | 0.9218 |
24 | CH | 0.9213 |
25 | IRP | 0.9198 |
26 | 71V | 0.9191 |
27 | DA | 0.9187 |
28 | 9L3 | 0.9175 |
29 | PFU | 0.9149 |
30 | DGP | 0.9109 |
31 | DG | 0.9109 |
32 | G7M | 0.9102 |
33 | NYM | 0.9102 |
34 | T3S | 0.9102 |
35 | 6MA | 0.9081 |
36 | DU | 0.9077 |
37 | PSU | 0.9073 |
38 | DI | 0.9058 |
39 | AS | 0.9048 |
40 | D5M | 0.9048 |
41 | DUS | 0.9038 |
42 | NEC | 0.9031 |
43 | NIA | 0.9026 |
44 | C2R | 0.9006 |
45 | DCM | 0.8998 |
46 | DC | 0.8996 |
47 | FN5 | 0.8993 |
48 | AMZ | 0.8992 |
49 | N5O | 0.8968 |
50 | DDN | 0.8950 |
51 | ATM | 0.8921 |
52 | DOC | 0.8899 |
53 | UMC | 0.8845 |
54 | 6RE | 0.8789 |
55 | J7C | 0.8787 |
56 | MTE | 0.8768 |
57 | 7D5 | 0.8637 |
58 | MTA | 0.8634 |
59 | GDP | 0.8603 |
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 |