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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 197 families. | |||||
1 | 4GHP | - | EIS | C36 H69 N O11 S | CCCCCCCCCC.... |
2 | 4GJQ | - | CIS | C48 H91 N O11 S | CCCCCCCCCC.... |
3 | 2EVL | Kd = 0.2 uM | GAL SPH EIC | n/a | n/a |
4 | 3RIC | - | CIS | C48 H91 N O11 S | CCCCCCCCCC.... |
5 | 3S0I | - | CIS | C48 H91 N O11 S | CCCCCCCCCC.... |
6 | 2BV7 | - | GM3 | C50 H99 N O8 | CCCCCCCCCC.... |
7 | 4GXD | - | 0SG | C36 H69 N O14 S2 | CCCCCCCCCC.... |
8 | 2EUM | Kd = 0.2 uM | BGC SPH GAL OCA | n/a | n/a |
9 | 3S0K | - | 03F | C42 H79 N O8 | CCCCCCCCCC.... |
10 | 4GIX | - | 0SG | C36 H69 N O14 S2 | CCCCCCCCCC.... |
11 | 4GXG | - | EIS | C36 H69 N O11 S | CCCCCCCCCC.... |
12 | 4GH0 | - | EIS | C36 H69 N O11 S | CCCCCCCCCC.... |
13 | 1WBE | - | DKA | C10 H20 O2 | CCCCCCCCCC.... |
14 | 3RZN | - | CIS | C48 H91 N O11 S | CCCCCCCCCC.... |
15 | 2EVD | - | BGC SPH GAL DAO | n/a | n/a |
16 | 1TFJ | - | DKA | C10 H20 O2 | CCCCCCCCCC.... |
17 | 2EUK | Kd = 0.25 uM | GAL SPH NER | n/a | n/a |
18 | 4H2Z | - | EIS | C36 H69 N O11 S | CCCCCCCCCC.... |
19 | 2EVS | - | GLC HEX | n/a | n/a |
20 | 1SX6 | - | BGC SPH GAL OLA | n/a | n/a |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 165 families. | |||||
1 | 4GHP | - | EIS | C36 H69 N O11 S | CCCCCCCCCC.... |
2 | 4GJQ | - | CIS | C48 H91 N O11 S | CCCCCCCCCC.... |
3 | 2EVL | Kd = 0.2 uM | GAL SPH EIC | n/a | n/a |
4 | 3RIC | - | CIS | C48 H91 N O11 S | CCCCCCCCCC.... |
5 | 3S0I | - | CIS | C48 H91 N O11 S | CCCCCCCCCC.... |
6 | 2BV7 | - | GM3 | C50 H99 N O8 | CCCCCCCCCC.... |
7 | 4GXD | - | 0SG | C36 H69 N O14 S2 | CCCCCCCCCC.... |
8 | 2EUM | Kd = 0.2 uM | BGC SPH GAL OCA | n/a | n/a |
9 | 3S0K | - | 03F | C42 H79 N O8 | CCCCCCCCCC.... |
10 | 4GIX | - | 0SG | C36 H69 N O14 S2 | CCCCCCCCCC.... |
11 | 4GXG | - | EIS | C36 H69 N O11 S | CCCCCCCCCC.... |
12 | 4GH0 | - | EIS | C36 H69 N O11 S | CCCCCCCCCC.... |
13 | 1WBE | - | DKA | C10 H20 O2 | CCCCCCCCCC.... |
14 | 3RZN | - | CIS | C48 H91 N O11 S | CCCCCCCCCC.... |
15 | 2EVD | - | BGC SPH GAL DAO | n/a | n/a |
16 | 1TFJ | - | DKA | C10 H20 O2 | CCCCCCCCCC.... |
17 | 2EUK | Kd = 0.25 uM | GAL SPH NER | n/a | n/a |
18 | 4H2Z | - | EIS | C36 H69 N O11 S | CCCCCCCCCC.... |
19 | 2EVS | - | GLC HEX | n/a | n/a |
20 | 1SX6 | - | BGC SPH GAL OLA | n/a | n/a |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | CIS | 1 | 1 |
2 | SLF | 0.963855 | 1 |
3 | EIS | 0.963855 | 1 |
4 | 0SG | 0.795699 | 0.986111 |
5 | 03F | 0.766667 | 0.75 |
6 | SFT | 0.731959 | 1 |
7 | BGC 18C GAL | 0.631068 | 0.753425 |
8 | IGC | 0.62963 | 0.753425 |
9 | LGN | 0.62963 | 0.753425 |
10 | JLS | 0.567308 | 0.726027 |
11 | DB6 | 0.517857 | 0.726027 |
12 | 1PZ | 0.505376 | 0.675676 |
13 | 1PX | 0.505376 | 0.675676 |
14 | GM3 | 0.504951 | 0.722222 |
15 | BGC 18C GAL SIA | 0.492857 | 0.74026 |
16 | 3XU | 0.485714 | 0.621951 |
17 | FO4 | 0.485714 | 0.621951 |
18 | 0SH | 0.480769 | 0.712329 |
19 | PBS | 0.480769 | 0.712329 |
20 | F61 | 0.480769 | 0.712329 |
21 | FEE | 0.480769 | 0.712329 |
22 | AGH | 0.480769 | 0.712329 |
23 | BGC 16C GAL SIA | 0.447552 | 0.74026 |
24 | GAL SPH EIC | 0.439655 | 0.702703 |
25 | GGD | 0.436975 | 0.616438 |
26 | BGC 18C GAL SIA NGA GAL | 0.43038 | 0.74026 |
27 | GAL SPH NER | 0.428571 | 0.689189 |
28 | JTG | 0.426087 | 0.716216 |
29 | 1O2 | 0.423423 | 0.611111 |
30 | 3TF | 0.419643 | 0.611111 |
31 | 7LM | 0.418033 | 0.693333 |
32 | C1Q | 0.418033 | 0.693333 |
33 | C8F | 0.418033 | 0.658228 |
34 | C8P | 0.418033 | 0.693333 |
35 | ELS | 0.416 | 0.692308 |
36 | JTD | 0.410256 | 0.702703 |
37 | C6Q | 0.409836 | 0.693333 |
38 | BGC SPH GAL OCA | 0.4 | 0.706667 |
No: | Ligand | Similarity coefficient |
---|
This union binding pocket(no: 1) in the query (biounit: 2evl.bio1) has 78 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |