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No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 1331 families. | |||||
1 | 6GD6 | - | EVB | C56 H48 O32 S8 | c1c(cc2c(c.... |
2 | 5KLU | - | 6UZ | C23 H42 O11 | C=CCCCCCCC.... |
3 | 5T7H | - | ZE7 | C12 H24 O | C1CCC(CC1).... |
4 | 6S8Y | - | L0T | C82 H44 N16 O34 S8 | CC(=O)Nc1c.... |
5 | 6GD7 | - | EVB | C56 H48 O32 S8 | c1c(cc2c(c.... |
6 | 6RSJ | - | EVB | C56 H48 O32 S8 | c1c(cc2c(c.... |
7 | 6GD8 | - | EVB | C56 H48 O32 S8 | c1c(cc2c(c.... |
8 | 6RSI | - | EVB | C56 H48 O32 S8 | c1c(cc2c(c.... |
9 | 6EGZ | - | B4X | C82 H132 O42 S4 | COCCOCCOCC.... |
10 | 6RSL | - | EVB | C56 H48 O32 S8 | c1c(cc2c(c.... |
11 | 6RSK | - | EVB | C56 H48 O32 S8 | c1c(cc2c(c.... |
12 | 6SUY | - | LVT | C36 H32 O24 S4 | c1c(cc2c(c.... |
13 | 4RSZ | - | CPT | Cl2 H6 N2 Pt | [NH3][Pt](.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 1144 families. | |||||
1 | 6GD6 | - | EVB | C56 H48 O32 S8 | c1c(cc2c(c.... |
2 | 5KLU | - | 6UZ | C23 H42 O11 | C=CCCCCCCC.... |
3 | 5T7H | - | ZE7 | C12 H24 O | C1CCC(CC1).... |
4 | 6S8Y | - | L0T | C82 H44 N16 O34 S8 | CC(=O)Nc1c.... |
5 | 6GD7 | - | EVB | C56 H48 O32 S8 | c1c(cc2c(c.... |
6 | 6RSJ | - | EVB | C56 H48 O32 S8 | c1c(cc2c(c.... |
7 | 6GD8 | - | EVB | C56 H48 O32 S8 | c1c(cc2c(c.... |
8 | 6RSI | - | EVB | C56 H48 O32 S8 | c1c(cc2c(c.... |
9 | 6EGZ | - | B4X | C82 H132 O42 S4 | COCCOCCOCC.... |
10 | 6RSL | - | EVB | C56 H48 O32 S8 | c1c(cc2c(c.... |
11 | 6RSK | - | EVB | C56 H48 O32 S8 | c1c(cc2c(c.... |
12 | 6SUY | - | LVT | C36 H32 O24 S4 | c1c(cc2c(c.... |
13 | 4RSZ | - | CPT | Cl2 H6 N2 Pt | [NH3][Pt](.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | 6UZ | 1 | 1 |
2 | LMU | 0.738462 | 0.840909 |
3 | UMQ | 0.738462 | 0.840909 |
4 | LMT | 0.738462 | 0.840909 |
5 | DMU | 0.738462 | 0.840909 |
6 | GLC NBU GAL GLA | 0.656716 | 0.813953 |
7 | GLC EDO GLC | 0.650794 | 0.85 |
8 | MA4 | 0.648649 | 0.948718 |
9 | CM5 | 0.635135 | 0.948718 |
10 | BGC 5VQ GAL GLA | 0.61194 | 0.809524 |
11 | BGC GLA GAL | 0.539683 | 0.846154 |
12 | MGL GAL | 0.515152 | 0.804878 |
13 | BNG | 0.507463 | 0.795455 |
14 | HSJ | 0.507463 | 0.795455 |
15 | BOG | 0.507463 | 0.795455 |
16 | BGC BGC BGC BGC BGC BGC BGC BGC BGC | 0.5 | 0.846154 |
17 | GLC GLC GLC GLC BGC GLC GLC | 0.5 | 0.846154 |
18 | MAN BMA BMA BMA BMA BMA BMA | 0.5 | 0.846154 |
19 | B7G | 0.492537 | 0.795455 |
20 | KGM | 0.492537 | 0.795455 |
21 | GLC GLC GLC GLC GLC GLC GLC GLC GLC | 0.487179 | 0.846154 |
22 | JZR | 0.477612 | 0.772727 |
23 | BHG | 0.477612 | 0.772727 |
24 | HEX GLC | 0.477612 | 0.772727 |
25 | BGC XGP | 0.472222 | 0.6875 |
26 | LSE | 0.468354 | 0.641509 |
27 | AFO | 0.462687 | 0.717391 |
28 | G2F BGC BGC BGC BGC BGC | 0.460526 | 0.790698 |
29 | G2F SHG BGC BGC | 0.459459 | 0.767442 |
30 | MAN BMA BMA | 0.459459 | 0.85 |
31 | BGC 18C GAL | 0.459184 | 0.666667 |
32 | BGC SPH GAL OCA | 0.459184 | 0.666667 |
33 | BMA BMA BMA BMA GLA | 0.45 | 0.846154 |
34 | DR4 | 0.447368 | 0.795455 |
35 | XNS | 0.447368 | 0.795455 |
36 | NAG GAL BGC GAL | 0.447059 | 0.647059 |
37 | GPM GLC | 0.445946 | 0.708333 |
38 | 10M | 0.444444 | 0.787234 |
39 | BGC BGC BGC BGC BGC BGC BGC BGC | 0.441558 | 0.846154 |
40 | GLC GLC GLC GLC GLC | 0.4375 | 0.846154 |
41 | BQZ | 0.4375 | 0.769231 |
42 | BGC GLC GLC GLC | 0.4375 | 0.846154 |
43 | FRU BGC BGC BGC | 0.435897 | 0.790698 |
44 | OPM MAN MAN | 0.433735 | 0.818182 |
45 | DEG | 0.432836 | 0.744186 |
46 | GLC BGC BGC | 0.432099 | 0.804878 |
47 | G3I | 0.43038 | 0.708333 |
48 | BGC OXZ BGC | 0.43038 | 0.641509 |
49 | G2I | 0.43038 | 0.708333 |
50 | GLO GLC GLC | 0.428571 | 0.804878 |
51 | BGC SPH GAL OLA | 0.427083 | 0.660714 |
52 | BGC SPH GAL DAO | 0.427083 | 0.660714 |
53 | BGC GAL GLA | 0.426667 | 0.846154 |
54 | SOR GLC GLC | 0.425 | 0.825 |
55 | IGC | 0.424528 | 0.666667 |
56 | LGN | 0.424528 | 0.666667 |
57 | MGL SGC BGC BGC | 0.423529 | 0.75 |
58 | BGC GLC GLC | 0.423077 | 0.846154 |
59 | XYS GLC GLC | 0.419753 | 0.825 |
60 | GLO GLC GLC GLC | 0.418605 | 0.804878 |
61 | GTM BGC BGC | 0.409639 | 0.75 |
62 | GLC GLC G6D ADH GLC GLC | 0.409639 | 0.666667 |
63 | BHE | 0.409639 | 0.822222 |
64 | HSH GLA FUC | 0.406977 | 0.822222 |
65 | MBG GLA | 0.405797 | 0.804878 |
66 | TVD GAL | 0.402597 | 0.6 |
67 | GAL GLA | 0.4 | 0.846154 |
68 | BGC ERA GAL | 0.4 | 0.655172 |
No: | Ligand | Similarity coefficient |
---|
This union binding pocket(no: 1) in the query (biounit: 6gd6.bio1) has 47 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |