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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 | 5FU | 1 | 1 |
2 | 5BU | 0.69697 | 0.971429 |
3 | 5UD | 0.683333 | 0.859155 |
4 | CNU | 0.666667 | 0.902778 |
5 | GPK | 0.625 | 0.819444 |
6 | U5P | 0.57971 | 0.927536 |
7 | U | 0.57971 | 0.927536 |
8 | UFP | 0.555556 | 0.917808 |
9 | BUP | 0.551282 | 0.957747 |
10 | DK4 | 0.536232 | 0.791667 |
11 | 5GW | 0.518072 | 0.890411 |
12 | FNU | 0.513514 | 0.945205 |
13 | TKW | 0.513514 | 0.890411 |
14 | UP6 | 0.493151 | 0.824324 |
15 | 5HM | 0.480519 | 0.855263 |
16 | C5P | 0.48 | 0.876712 |
17 | C | 0.48 | 0.876712 |
18 | CAR | 0.48 | 0.876712 |
19 | H2U | 0.479452 | 0.849315 |
20 | 4GW | 0.477778 | 0.866667 |
21 | 6CN | 0.474359 | 0.902778 |
22 | UDP | 0.474359 | 0.914286 |
23 | GP0 | 0.472973 | 0.8 |
24 | U5F | 0.469136 | 0.914286 |
25 | 16B | 0.467532 | 0.842105 |
26 | S5P | 0.466667 | 0.866667 |
27 | BMP | 0.466667 | 0.915493 |
28 | BMQ | 0.465753 | 0.873239 |
29 | NUP | 0.460526 | 0.890411 |
30 | U6M | 0.460526 | 0.928571 |
31 | UTP | 0.45679 | 0.914286 |
32 | 6AU | 0.455696 | 0.928571 |
33 | 44P | 0.454545 | 0.876712 |
34 | JW5 | 0.454545 | 0.915493 |
35 | ICR | 0.454545 | 0.776316 |
36 | 2GW | 0.453608 | 0.853333 |
37 | UNP | 0.440476 | 0.888889 |
38 | OMP | 0.4375 | 0.928571 |
39 | 2KH | 0.433735 | 0.888889 |
40 | BRU | 0.43038 | 0.891892 |
41 | 2OM | 0.43038 | 0.861111 |
42 | UPU | 0.430233 | 0.887324 |
43 | 8OP | 0.423529 | 0.794872 |
44 | 1GW | 0.423077 | 0.820513 |
45 | UDP UDP | 0.419753 | 0.885714 |
46 | U2F | 0.419355 | 0.917808 |
47 | UPF | 0.419355 | 0.917808 |
48 | UFG | 0.419355 | 0.917808 |
49 | URM | 0.417582 | 0.851351 |
50 | UPG | 0.417582 | 0.863014 |
51 | UFM | 0.417582 | 0.863014 |
52 | 660 | 0.417582 | 0.851351 |
53 | GDU | 0.417582 | 0.863014 |
54 | 8GM | 0.416667 | 0.822785 |
55 | O7M | 0.416667 | 0.902778 |
56 | 5HU | 0.4125 | 0.828947 |
57 | TMP | 0.4125 | 0.84 |
58 | GPQ | 0.410959 | 0.794521 |
59 | 5IU | 0.407407 | 0.891892 |
60 | O7E | 0.406977 | 0.902778 |
61 | GPU | 0.4 | 0.794521 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | AMP | 0.9664 |
2 | UMP | 0.9654 |
3 | 5CM | 0.9653 |
4 | DUS | 0.9588 |
5 | CH | 0.9577 |
6 | QBT | 0.9542 |
7 | DU | 0.9490 |
8 | PFU | 0.9485 |
9 | PSU | 0.9480 |
10 | FDM | 0.9474 |
11 | C2R | 0.9445 |
12 | IMP | 0.9430 |
13 | DA | 0.9395 |
14 | 2DT | 0.9391 |
15 | D4M | 0.9391 |
16 | FN5 | 0.9384 |
17 | DCM | 0.9355 |
18 | DC | 0.9355 |
19 | DOC | 0.9343 |
20 | NYM | 0.9305 |
21 | FMP | 0.9296 |
22 | 9L3 | 0.9289 |
23 | DDN | 0.9278 |
24 | 5GP | 0.9270 |
25 | BVP | 0.9267 |
26 | IRP | 0.9265 |
27 | DI | 0.9258 |
28 | U4S | 0.9246 |
29 | UMC | 0.9233 |
30 | D5M | 0.9232 |
31 | G | 0.9202 |
32 | NMN | 0.9200 |
33 | XMP | 0.9200 |
34 | NIA | 0.9194 |
35 | IMU | 0.9188 |
36 | AMZ | 0.9174 |
37 | 8BR | 0.9172 |
38 | T3S | 0.9172 |
39 | AS | 0.9167 |
40 | U3S | 0.9143 |
41 | NCN | 0.9141 |
42 | U1S | 0.9119 |
43 | DGP | 0.9112 |
44 | DG | 0.9112 |
45 | ATM | 0.9108 |
46 | NEC | 0.9084 |
47 | 8OG | 0.9080 |
48 | AIR | 0.9070 |
49 | 71V | 0.9062 |
50 | U2S | 0.9058 |
51 | 6MA | 0.9039 |
52 | A3N | 0.9028 |
53 | N5O | 0.9016 |
54 | AOC | 0.9003 |
55 | ZAS | 0.8970 |
56 | 6OG | 0.8926 |
57 | 6RE | 0.8914 |
58 | J7C | 0.8914 |
59 | G7M | 0.8897 |
60 | K8W | 0.8852 |
61 | FAI | 0.8850 |
62 | IRN | 0.8850 |
63 | NWQ | 0.8842 |
64 | MTH | 0.8803 |
65 | MTA | 0.8796 |
66 | 7D5 | 0.8785 |
67 | MTE | 0.8731 |
68 | PRX | 0.8701 |
69 | THP | 0.8662 |
70 | PZB | 0.8658 |
71 | GDP | 0.8638 |
72 | ADP | 0.8637 |
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 |