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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 | GAL SPH EIC | 1 | 1 |
2 | BGC SPH GAL OCA | 0.742268 | 0.964286 |
3 | GAL SPH NER | 0.677083 | 0.981481 |
4 | DB6 | 0.583333 | 0.894737 |
5 | 1L2 | 0.575472 | 0.75 |
6 | 03F | 0.568627 | 0.928571 |
7 | 3TF | 0.509434 | 0.75 |
8 | BGC SPH GAL OLA | 0.509259 | 0.928571 |
9 | BGC SPH GAL DAO | 0.509259 | 0.928571 |
10 | JLS | 0.504587 | 0.894737 |
11 | 1O2 | 0.5 | 0.75 |
12 | BGC 18C GAL | 0.482456 | 0.896552 |
13 | LGN | 0.475 | 0.896552 |
14 | IGC | 0.475 | 0.896552 |
15 | GGD | 0.445378 | 0.724138 |
16 | GM3 | 0.443396 | 0.892857 |
17 | CIS | 0.439655 | 0.702703 |
18 | FEE | 0.435185 | 0.877193 |
19 | 0SH | 0.435185 | 0.877193 |
20 | PBS | 0.435185 | 0.877193 |
21 | F61 | 0.435185 | 0.877193 |
22 | AGH | 0.435185 | 0.877193 |
23 | EIS | 0.426087 | 0.702703 |
24 | SLF | 0.426087 | 0.702703 |
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 |