- 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 | 3V1P | - | BMP | C9 H13 N2 O10 P | C1=C(N(C(=.... |
2 | 3G24 | - | UP6 | C8 H12 N3 O9 P | C1=NN(C(=O.... |
3 | 1LOS | Ki = 64 nM | UP6 | C8 H12 N3 O9 P | C1=NN(C(=O.... |
4 | 3NQG | - | BMP | C9 H13 N2 O10 P | C1=C(N(C(=.... |
5 | 3NQD | - | BMP | C9 H13 N2 O10 P | C1=C(N(C(=.... |
6 | 3LHY | - | BMQ | C9 H13 N2 O10 P | C1C(=O)NC(.... |
7 | 3LTS | - | BMP | C9 H13 N2 O10 P | C1=C(N(C(=.... |
8 | 3G1X | - | U | C9 H13 N2 O9 P | C1=CN(C(=O.... |
9 | 1KM0 | - | UP6 | C8 H12 N3 O9 P | C1=NN(C(=O.... |
10 | 3WJX | Ki = 840 nM | NUP | C9 H14 N3 O9 P | C1=C(N(C(=.... |
11 | 1LP6 | - | C5P | C9 H14 N3 O8 P | C1=CN(C(=O.... |
12 | 3LLF | - | UP6 | C8 H12 N3 O9 P | C1=NN(C(=O.... |
13 | 3G1D | - | U | C9 H13 N2 O9 P | C1=CN(C(=O.... |
14 | 3LHT | - | BMQ | C9 H13 N2 O10 P | C1C(=O)NC(.... |
15 | 3NQE | - | BMP | C9 H13 N2 O10 P | C1=C(N(C(=.... |
16 | 3WK1 | - | O7E | C12 H17 N2 O11 P | CCOC(=O)C1.... |
17 | 1KM3 | - | UP6 | C8 H12 N3 O9 P | C1=NN(C(=O.... |
18 | 3LV5 | - | BMP | C9 H13 N2 O10 P | C1=C(N(C(=.... |
19 | 3LHW | - | BMQ | C9 H13 N2 O10 P | C1C(=O)NC(.... |
20 | 1KM1 | - | UP6 | C8 H12 N3 O9 P | C1=NN(C(=O.... |
21 | 3LV6 | - | BMP | C9 H13 N2 O10 P | C1=C(N(C(=.... |
22 | 3G1F | Ki = 100 uM | 2OM | C10 H15 N2 O11 P | C1[C@@H](N.... |
23 | 3M1Z | - | BMP | C9 H13 N2 O10 P | C1=C(N(C(=.... |
24 | 3W07 | Kd = 0.00042 M | U5P | C9 H13 N2 O9 P | C1=CN(C(=O.... |
25 | 3PBU | - | UP6 | C8 H12 N3 O9 P | C1=NN(C(=O.... |
26 | 1LOR | Ki = 8.8 pM | BMP | C9 H13 N2 O10 P | C1=C(N(C(=.... |
27 | 3NQC | - | BMP | C9 H13 N2 O10 P | C1=C(N(C(=.... |
28 | 3LHZ | - | BMQ | C9 H13 N2 O10 P | C1C(=O)NC(.... |
29 | 1KM2 | - | UP6 | C8 H12 N3 O9 P | C1=NN(C(=O.... |
30 | 3PC0 | - | UP6 | C8 H12 N3 O9 P | C1=NN(C(=O.... |
31 | 3WK2 | - | O7M | C11 H15 N2 O11 P | COC(=O)C1=.... |
32 | 3PBY | - | UP6 | C8 H12 N3 O9 P | C1=NN(C(=O.... |
33 | 3LI0 | - | BMQ | C9 H13 N2 O10 P | C1C(=O)NC(.... |
34 | 1KM4 | - | U | C9 H13 N2 O9 P | C1=CN(C(=O.... |
35 | 3LHU | - | BMQ | C9 H13 N2 O10 P | C1C(=O)NC(.... |
36 | 3G22 | - | U | C9 H13 N2 O9 P | C1=CN(C(=O.... |
37 | 2ZZ1 | - | BMP | C9 H13 N2 O10 P | C1=C(N(C(=.... |
38 | 4GC4 | - | BMP | C9 H13 N2 O10 P | C1=C(N(C(=.... |
39 | 4FX8 | - | BMP | C9 H13 N2 O10 P | C1=C(N(C(=.... |
40 | 3LI1 | - | BMQ | C9 H13 N2 O10 P | C1C(=O)NC(.... |
41 | 1KLY | - | UP6 | C8 H12 N3 O9 P | C1=NN(C(=O.... |
42 | 3G1V | - | 5FU | C9 H12 F N2 O9 P | C1=C(C(=O).... |
43 | 1DVJ | Ki = 0.51 mM | UP6 | C8 H12 N3 O9 P | C1=NN(C(=O.... |
44 | 3LTY | - | BMP | C9 H13 N2 O10 P | C1=C(N(C(=.... |
45 | 3WJY | - | NUP | C9 H14 N3 O9 P | C1=C(N(C(=.... |
46 | 1KM5 | - | UP6 | C8 H12 N3 O9 P | C1=NN(C(=O.... |
47 | 3PBW | - | UP6 | C8 H12 N3 O9 P | C1=NN(C(=O.... |
48 | 3WK0 | - | O7M | C11 H15 N2 O11 P | COC(=O)C1=.... |
49 | 2ZZ7 | - | BMP | C9 H13 N2 O10 P | C1=C(N(C(=.... |
50 | 3NQM | - | BMP | C9 H13 N2 O10 P | C1=C(N(C(=.... |
51 | 4FX6 | - | BMP | C9 H13 N2 O10 P | C1=C(N(C(=.... |
52 | 3G1H | - | H2U | C9 H15 N2 O9 P | C1CN(C(=O).... |
53 | 4FXR | - | BMP | C9 H13 N2 O10 P | C1=C(N(C(=.... |
54 | 1KM6 | - | OMP | C10 H13 N2 O11 P | C1=C(N(C(=.... |
55 | 3LTP | - | BMP | C9 H13 N2 O10 P | C1=C(N(C(=.... |
56 | 3WJW | Ki = 134 uM | U6M | C10 H15 N2 O9 P | CC1=CC(=O).... |
57 | 3LLD | - | UP6 | C8 H12 N3 O9 P | C1=NN(C(=O.... |
58 | 3NQF | - | BMP | C9 H13 N2 O10 P | C1=C(N(C(=.... |
59 | 1LOQ | Ki = 0.2 mM | U | C9 H13 N2 O9 P | C1=CN(C(=O.... |
60 | 3G1A | - | UP6 | C8 H12 N3 O9 P | C1=NN(C(=O.... |
61 | 3PBV | - | UP6 | C8 H12 N3 O9 P | C1=NN(C(=O.... |
62 | 3WK3 | - | O7E | C12 H17 N2 O11 P | CCOC(=O)C1.... |
63 | 3LHV | - | BMQ | C9 H13 N2 O10 P | C1C(=O)NC(.... |
64 | 1LOL | Ki = 0.41 uM | XMP | C10 H14 N4 O9 P | c1[nH+]c2c.... |
65 | 2ZZ5 | - | 6CN | C10 H12 N3 O9 P | C1=C(N(C(=.... |
66 | 1KLZ | - | U | C9 H13 N2 O9 P | C1=CN(C(=O.... |
67 | 3WJZ | - | NUP | C9 H14 N3 O9 P | C1=C(N(C(=.... |
68 | 1X1Z | Ki = 8.8 pM | BMP | C9 H13 N2 O10 P | C1=C(N(C(=.... |
69 | 2ZZ2 | - | 6CN | C10 H12 N3 O9 P | C1=C(N(C(=.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 4 families. | |||||
1 | 3V1P | - | BMP | C9 H13 N2 O10 P | C1=C(N(C(=.... |
2 | 3G24 | - | UP6 | C8 H12 N3 O9 P | C1=NN(C(=O.... |
3 | 1LOS | Ki = 64 nM | UP6 | C8 H12 N3 O9 P | C1=NN(C(=O.... |
4 | 3NQG | - | BMP | C9 H13 N2 O10 P | C1=C(N(C(=.... |
5 | 3NQD | - | BMP | C9 H13 N2 O10 P | C1=C(N(C(=.... |
6 | 3LHY | - | BMQ | C9 H13 N2 O10 P | C1C(=O)NC(.... |
7 | 3LTS | - | BMP | C9 H13 N2 O10 P | C1=C(N(C(=.... |
8 | 3G1X | - | U | C9 H13 N2 O9 P | C1=CN(C(=O.... |
9 | 1KM0 | - | UP6 | C8 H12 N3 O9 P | C1=NN(C(=O.... |
10 | 3WJX | Ki = 840 nM | NUP | C9 H14 N3 O9 P | C1=C(N(C(=.... |
11 | 1LP6 | - | C5P | C9 H14 N3 O8 P | C1=CN(C(=O.... |
12 | 3LLF | - | UP6 | C8 H12 N3 O9 P | C1=NN(C(=O.... |
13 | 3G1D | - | U | C9 H13 N2 O9 P | C1=CN(C(=O.... |
14 | 3LHT | - | BMQ | C9 H13 N2 O10 P | C1C(=O)NC(.... |
15 | 3NQE | - | BMP | C9 H13 N2 O10 P | C1=C(N(C(=.... |
16 | 3WK1 | - | O7E | C12 H17 N2 O11 P | CCOC(=O)C1.... |
17 | 1KM3 | - | UP6 | C8 H12 N3 O9 P | C1=NN(C(=O.... |
18 | 3LV5 | - | BMP | C9 H13 N2 O10 P | C1=C(N(C(=.... |
19 | 3LHW | - | BMQ | C9 H13 N2 O10 P | C1C(=O)NC(.... |
20 | 1KM1 | - | UP6 | C8 H12 N3 O9 P | C1=NN(C(=O.... |
21 | 3LV6 | - | BMP | C9 H13 N2 O10 P | C1=C(N(C(=.... |
22 | 3G1F | Ki = 100 uM | 2OM | C10 H15 N2 O11 P | C1[C@@H](N.... |
23 | 3M1Z | - | BMP | C9 H13 N2 O10 P | C1=C(N(C(=.... |
24 | 3W07 | Kd = 0.00042 M | U5P | C9 H13 N2 O9 P | C1=CN(C(=O.... |
25 | 3PBU | - | UP6 | C8 H12 N3 O9 P | C1=NN(C(=O.... |
26 | 1LOR | Ki = 8.8 pM | BMP | C9 H13 N2 O10 P | C1=C(N(C(=.... |
27 | 3NQC | - | BMP | C9 H13 N2 O10 P | C1=C(N(C(=.... |
28 | 3LHZ | - | BMQ | C9 H13 N2 O10 P | C1C(=O)NC(.... |
29 | 1KM2 | - | UP6 | C8 H12 N3 O9 P | C1=NN(C(=O.... |
30 | 3PC0 | - | UP6 | C8 H12 N3 O9 P | C1=NN(C(=O.... |
31 | 3WK2 | - | O7M | C11 H15 N2 O11 P | COC(=O)C1=.... |
32 | 3PBY | - | UP6 | C8 H12 N3 O9 P | C1=NN(C(=O.... |
33 | 3LI0 | - | BMQ | C9 H13 N2 O10 P | C1C(=O)NC(.... |
34 | 1KM4 | - | U | C9 H13 N2 O9 P | C1=CN(C(=O.... |
35 | 3LHU | - | BMQ | C9 H13 N2 O10 P | C1C(=O)NC(.... |
36 | 3G22 | - | U | C9 H13 N2 O9 P | C1=CN(C(=O.... |
37 | 2ZZ1 | - | BMP | C9 H13 N2 O10 P | C1=C(N(C(=.... |
38 | 4GC4 | - | BMP | C9 H13 N2 O10 P | C1=C(N(C(=.... |
39 | 4FX8 | - | BMP | C9 H13 N2 O10 P | C1=C(N(C(=.... |
40 | 3LI1 | - | BMQ | C9 H13 N2 O10 P | C1C(=O)NC(.... |
41 | 1KLY | - | UP6 | C8 H12 N3 O9 P | C1=NN(C(=O.... |
42 | 3G1V | - | 5FU | C9 H12 F N2 O9 P | C1=C(C(=O).... |
43 | 1DVJ | Ki = 0.51 mM | UP6 | C8 H12 N3 O9 P | C1=NN(C(=O.... |
44 | 3LTY | - | BMP | C9 H13 N2 O10 P | C1=C(N(C(=.... |
45 | 3WJY | - | NUP | C9 H14 N3 O9 P | C1=C(N(C(=.... |
46 | 1KM5 | - | UP6 | C8 H12 N3 O9 P | C1=NN(C(=O.... |
47 | 3PBW | - | UP6 | C8 H12 N3 O9 P | C1=NN(C(=O.... |
48 | 3WK0 | - | O7M | C11 H15 N2 O11 P | COC(=O)C1=.... |
49 | 2ZZ7 | - | BMP | C9 H13 N2 O10 P | C1=C(N(C(=.... |
50 | 3NQM | - | BMP | C9 H13 N2 O10 P | C1=C(N(C(=.... |
51 | 4FX6 | - | BMP | C9 H13 N2 O10 P | C1=C(N(C(=.... |
52 | 3G1H | - | H2U | C9 H15 N2 O9 P | C1CN(C(=O).... |
53 | 4FXR | - | BMP | C9 H13 N2 O10 P | C1=C(N(C(=.... |
54 | 1KM6 | - | OMP | C10 H13 N2 O11 P | C1=C(N(C(=.... |
55 | 3LTP | - | BMP | C9 H13 N2 O10 P | C1=C(N(C(=.... |
56 | 3WJW | Ki = 134 uM | U6M | C10 H15 N2 O9 P | CC1=CC(=O).... |
57 | 3LLD | - | UP6 | C8 H12 N3 O9 P | C1=NN(C(=O.... |
58 | 3NQF | - | BMP | C9 H13 N2 O10 P | C1=C(N(C(=.... |
59 | 1LOQ | Ki = 0.2 mM | U | C9 H13 N2 O9 P | C1=CN(C(=O.... |
60 | 3G1A | - | UP6 | C8 H12 N3 O9 P | C1=NN(C(=O.... |
61 | 3PBV | - | UP6 | C8 H12 N3 O9 P | C1=NN(C(=O.... |
62 | 3WK3 | - | O7E | C12 H17 N2 O11 P | CCOC(=O)C1.... |
63 | 3LHV | - | BMQ | C9 H13 N2 O10 P | C1C(=O)NC(.... |
64 | 1LOL | Ki = 0.41 uM | XMP | C10 H14 N4 O9 P | c1[nH+]c2c.... |
65 | 2ZZ5 | - | 6CN | C10 H12 N3 O9 P | C1=C(N(C(=.... |
66 | 1KLZ | - | U | C9 H13 N2 O9 P | C1=CN(C(=O.... |
67 | 3WJZ | - | NUP | C9 H14 N3 O9 P | C1=C(N(C(=.... |
68 | 1X1Z | Ki = 8.8 pM | BMP | C9 H13 N2 O10 P | C1=C(N(C(=.... |
69 | 2ZZ2 | - | 6CN | C10 H12 N3 O9 P | C1=C(N(C(=.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | O7E | 1 | 1 |
2 | O7M | 0.805556 | 0.971014 |
3 | 6AU | 0.75 | 0.970588 |
4 | OMP | 0.726027 | 0.970588 |
5 | S5P | 0.613333 | 0.878378 |
6 | U6M | 0.605263 | 0.970588 |
7 | JW5 | 0.597403 | 0.928571 |
8 | BMP | 0.592105 | 0.928571 |
9 | NUP | 0.584416 | 0.902778 |
10 | 6CN | 0.555556 | 0.915493 |
11 | BMQ | 0.512821 | 0.885714 |
12 | 8OP | 0.466667 | 0.805195 |
13 | FNU | 0.464286 | 0.855263 |
14 | U | 0.463415 | 0.941176 |
15 | U5P | 0.463415 | 0.941176 |
16 | H2U | 0.451219 | 0.861111 |
17 | UP6 | 0.445783 | 0.835616 |
18 | 8GM | 0.444444 | 0.833333 |
19 | 2OM | 0.44186 | 0.9 |
20 | 5FU | 0.406977 | 0.902778 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | UMP | 0.9818 |
2 | TKW | 0.9723 |
3 | 5BU | 0.9720 |
4 | 5IU | 0.9587 |
5 | PFU | 0.9535 |
6 | C5P | 0.9419 |
7 | AMP | 0.9281 |
8 | C2R | 0.9139 |
9 | IMP | 0.9111 |
10 | TMP | 0.9111 |
11 | AMZ | 0.9071 |
12 | DDN | 0.9043 |
13 | NIA | 0.9029 |
14 | AIR | 0.8960 |
15 | NYM | 0.8931 |
16 | D5M | 0.8925 |
17 | 2DT | 0.8854 |
18 | 5GP | 0.8845 |
19 | QBT | 0.8822 |
20 | GAR | 0.8767 |
21 | XMP | 0.8733 |
22 | G | 0.8733 |
23 | FDM | 0.8704 |
24 | DCM | 0.8696 |
25 | FMP | 0.8693 |
26 | NMN | 0.8674 |
27 | ICR | 0.8633 |
28 | C | 0.8631 |
29 | 6RE | 0.8594 |
This union binding pocket(no: 1) in the query (biounit: 1lor.bio1) has 58 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 1lor.bio1) has 58 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |