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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 | BGC SPH GAL OLA | 1 | 1 |
2 | BGC SPH GAL DAO | 1 | 1 |
3 | GAL SPH NER | 0.733333 | 0.945455 |
4 | BGC SPH GAL OCA | 0.708333 | 0.964286 |
5 | UMQ | 0.55814 | 0.777778 |
6 | LMU | 0.55814 | 0.777778 |
7 | LMT | 0.55814 | 0.777778 |
8 | DMU | 0.55814 | 0.777778 |
9 | BGC 18C GAL | 0.54717 | 0.896552 |
10 | LGN | 0.522124 | 0.896552 |
11 | IGC | 0.522124 | 0.896552 |
12 | GAL SPH EIC | 0.509259 | 0.928571 |
13 | GLC NBU GAL GLA | 0.483146 | 0.722222 |
14 | GM3 | 0.48 | 0.892857 |
15 | PBS | 0.470588 | 0.877193 |
16 | 0SH | 0.470588 | 0.877193 |
17 | AGH | 0.470588 | 0.877193 |
18 | F61 | 0.470588 | 0.877193 |
19 | BGC 5VQ GAL GLA | 0.465909 | 0.685185 |
20 | 10M | 0.452632 | 0.736842 |
21 | FEE | 0.442308 | 0.877193 |
22 | GLC EDO GLC | 0.436782 | 0.648148 |
23 | JLS | 0.432432 | 0.862069 |
24 | 6UZ | 0.427083 | 0.660714 |
25 | U2D GLC | 0.42268 | 0.796296 |
26 | CM5 | 0.42 | 0.685185 |
27 | MA4 | 0.415842 | 0.685185 |
28 | BGC ERA GAL | 0.41129 | 0.913793 |
29 | 7LM | 0.408333 | 0.847458 |
30 | C8P | 0.408333 | 0.847458 |
31 | C1Q | 0.408333 | 0.847458 |
32 | MGL GAL | 0.406977 | 0.618182 |
33 | DB6 | 0.40678 | 0.862069 |
34 | BGC GLA GAL | 0.404762 | 0.611111 |
35 | JTG | 0.403509 | 0.847458 |
36 | GGD | 0.403361 | 0.754386 |
37 | C6Q | 0.4 | 0.847458 |
38 | JTD | 0.4 | 0.862069 |
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 |