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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 NER | 1 | 1 |
2 | BGC SPH GAL DAO | 0.733333 | 0.945455 |
3 | BGC SPH GAL OLA | 0.733333 | 0.945455 |
4 | GAL SPH EIC | 0.677083 | 0.981481 |
5 | BGC SPH GAL OCA | 0.60396 | 0.946429 |
6 | JLS | 0.602041 | 0.910714 |
7 | 03F | 0.561224 | 0.910714 |
8 | DB6 | 0.54717 | 0.910714 |
9 | 3TF | 0.545455 | 0.763636 |
10 | GM3 | 0.536842 | 0.909091 |
11 | 1O2 | 0.535354 | 0.763636 |
12 | F61 | 0.510204 | 0.892857 |
13 | PBS | 0.510204 | 0.892857 |
14 | AGH | 0.510204 | 0.892857 |
15 | 0SH | 0.510204 | 0.892857 |
16 | 1L2 | 0.495327 | 0.763636 |
17 | FEE | 0.48 | 0.892857 |
18 | BGC 18C GAL | 0.459459 | 0.87931 |
19 | GGD | 0.447368 | 0.736842 |
20 | LGN | 0.440678 | 0.87931 |
21 | IGC | 0.440678 | 0.87931 |
22 | BOG | 0.428571 | 0.754717 |
23 | HSJ | 0.428571 | 0.754717 |
24 | BNG | 0.428571 | 0.754717 |
25 | CIS | 0.428571 | 0.689189 |
26 | 7LM | 0.42735 | 0.830508 |
27 | C8P | 0.42735 | 0.830508 |
28 | C1Q | 0.42735 | 0.830508 |
29 | C8F | 0.42735 | 0.777778 |
30 | C6Q | 0.418803 | 0.830508 |
31 | KGM | 0.416667 | 0.754717 |
32 | B7G | 0.416667 | 0.754717 |
33 | BHG | 0.404762 | 0.735849 |
34 | HEX GLC | 0.404762 | 0.735849 |
35 | JZR | 0.404762 | 0.735849 |
36 | DGD | 0.40367 | 0.719298 |
37 | SLF | 0.401786 | 0.689189 |
38 | EIS | 0.401786 | 0.689189 |
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 |