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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 = 0.0000251 mM | 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 = 0.0000251 mM | 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 | 5IU | 1 | 1 |
2 | BRU | 0.720588 | 0.972222 |
3 | UFP | 0.705882 | 0.972222 |
4 | ID2 | 0.698413 | 0.863014 |
5 | TMP | 0.695652 | 0.917808 |
6 | 5HU | 0.695652 | 0.905405 |
7 | BVP | 0.631579 | 0.931507 |
8 | DU | 0.575342 | 0.929577 |
9 | UMP | 0.575342 | 0.929577 |
10 | TYD | 0.564103 | 0.905405 |
11 | DDN | 0.561644 | 0.929577 |
12 | TTP | 0.536585 | 0.905405 |
13 | TTP MG | 0.511905 | 0.878378 |
14 | TBD | 0.493976 | 0.87013 |
15 | TLO | 0.483516 | 0.857143 |
16 | DCM | 0.481013 | 0.866667 |
17 | DC | 0.481013 | 0.866667 |
18 | DUD | 0.463415 | 0.916667 |
19 | TDX | 0.463158 | 0.857143 |
20 | 9RC | 0.462366 | 0.776471 |
21 | UMC | 0.461538 | 0.876712 |
22 | DAU | 0.458333 | 0.846154 |
23 | FDM | 0.45679 | 0.932432 |
24 | NYM | 0.45679 | 0.893333 |
25 | QBT | 0.455696 | 0.864865 |
26 | LLT | 0.452055 | 0.786667 |
27 | THM | 0.452055 | 0.786667 |
28 | DT DT DT | 0.451613 | 0.855263 |
29 | THP | 0.451219 | 0.90411 |
30 | T46 | 0.44898 | 0.846154 |
31 | TRH | 0.447917 | 0.846154 |
32 | 1JB | 0.447917 | 0.846154 |
33 | 3R2 | 0.447917 | 0.835443 |
34 | 18T | 0.447917 | 0.846154 |
35 | UC5 | 0.445783 | 0.90411 |
36 | ATM | 0.44186 | 0.835443 |
37 | DUT | 0.44186 | 0.916667 |
38 | AHU | 0.441558 | 0.813333 |
39 | 3YN | 0.438776 | 0.846154 |
40 | DWN | 0.438776 | 0.825 |
41 | T3Q | 0.438776 | 0.825 |
42 | T3F | 0.438776 | 0.825 |
43 | DUP | 0.436782 | 0.891892 |
44 | DUN | 0.435294 | 0.891892 |
45 | 0N2 | 0.434343 | 0.814815 |
46 | AKM | 0.431373 | 0.807229 |
47 | MMF | 0.43 | 0.825 |
48 | 0FX | 0.43 | 0.825 |
49 | DT DT DT DT DT | 0.428571 | 0.881579 |
50 | QDM | 0.421569 | 0.814815 |
51 | 0DN | 0.421053 | 0.797297 |
52 | 8OG | 0.420455 | 0.807229 |
53 | DT DT PST | 0.42 | 0.8125 |
54 | BVD | 0.417722 | 0.8 |
55 | 1YF | 0.417476 | 0.835443 |
56 | FNF | 0.417476 | 0.835443 |
57 | JHZ | 0.417476 | 0.804878 |
58 | 5BU | 0.414634 | 0.891892 |
59 | 4TG | 0.413462 | 0.835443 |
60 | 5FU | 0.407407 | 0.891892 |
61 | T3S | 0.404762 | 0.734177 |
62 | DU DU DU DU BRU DU DU | 0.401869 | 0.906667 |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | DU | 1 | 1 |
2 | UMP | 1 | 1 |
3 | DUD | 0.8 | 0.985075 |
4 | UC5 | 0.772727 | 0.970588 |
5 | DUT | 0.753623 | 0.985075 |
6 | DUN | 0.75 | 0.956522 |
7 | DUP | 0.742857 | 0.956522 |
8 | DUS | 0.692308 | 0.853333 |
9 | DUR | 0.683333 | 0.852941 |
10 | DDN | 0.632353 | 1 |
11 | UFP | 0.591549 | 0.929577 |
12 | BRU | 0.583333 | 0.929577 |
13 | 5HU | 0.583333 | 0.942857 |
14 | TMP | 0.583333 | 0.956522 |
15 | UM3 | 0.57971 | 0.955224 |
16 | 5IU | 0.575342 | 0.929577 |
17 | DC | 0.561644 | 0.928571 |
18 | DCM | 0.561644 | 0.928571 |
19 | BVP | 0.531646 | 0.942857 |
20 | DU DU DU DU BRU DU DU | 0.53125 | 0.864865 |
21 | U | 0.527778 | 0.911765 |
22 | U5P | 0.527778 | 0.911765 |
23 | DDU | 0.523077 | 0.753623 |
24 | UMC | 0.520548 | 0.941176 |
25 | QBT | 0.493333 | 0.927536 |
26 | DUA | 0.487805 | 0.783784 |
27 | DU3 | 0.487805 | 0.780822 |
28 | DU4 | 0.47619 | 0.76 |
29 | TYD | 0.469136 | 0.942857 |
30 | YYY | 0.451219 | 0.915493 |
31 | UDP | 0.45 | 0.898551 |
32 | TTP | 0.447059 | 0.942857 |
33 | 8OG | 0.435294 | 0.835443 |
34 | U3P | 0.434211 | 0.897059 |
35 | UA3 | 0.434211 | 0.897059 |
36 | U2P | 0.434211 | 0.884058 |
37 | UTP | 0.433735 | 0.898551 |
38 | 44P | 0.43038 | 0.914286 |
39 | DCP | 0.430233 | 0.915493 |
40 | U5F | 0.428571 | 0.898551 |
41 | DUX | 0.411765 | 0.756757 |
42 | 2KH | 0.411765 | 0.873239 |
43 | UMF | 0.410256 | 0.84507 |
44 | F6G | 0.409091 | 0.876712 |
45 | UPU | 0.409091 | 0.871429 |
46 | 139 | 0.409091 | 0.8 |
47 | TTP MG | 0.409091 | 0.914286 |
48 | URI | 0.408451 | 0.771429 |
49 | TBD | 0.406977 | 0.90411 |
50 | DU DU DU DU BRU DA DU | 0.40625 | 0.771084 |
51 | PUA | 0.405172 | 0.833333 |
52 | UNP | 0.402299 | 0.873239 |
53 | PUP | 0.4 | 0.955882 |
54 | UDX | 0.4 | 0.873239 |
55 | UAD | 0.4 | 0.873239 |
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 |