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- Structure Biounit | Ligand Information
- PDB : .ZIP | .CSV
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- Class : .ZIP | .CSV
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 7 families. | |||||
1 | 3H2K | Kd = 76.7 uM | BOG | C14 H28 O6 | CCCCCCCCO[.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 6 families. | |||||
1 | 3H2K | Kd = 76.7 uM | BOG | C14 H28 O6 | CCCCCCCCO[.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | BNG | 1 | 1 |
2 | BOG | 1 | 1 |
3 | HSJ | 1 | 1 |
4 | KGM | 0.976744 | 1 |
5 | B7G | 0.976744 | 1 |
6 | HEX GLC | 0.909091 | 0.975 |
7 | BHG | 0.909091 | 0.975 |
8 | JZR | 0.909091 | 0.975 |
9 | AFO | 0.886364 | 0.904762 |
10 | DEG | 0.76087 | 0.9 |
11 | CQX | 0.740741 | 0.97561 |
12 | LMU | 0.719298 | 0.952381 |
13 | LMT | 0.719298 | 0.952381 |
14 | UMQ | 0.719298 | 0.952381 |
15 | DMU | 0.719298 | 0.952381 |
16 | XNS | 0.637931 | 0.904762 |
17 | DR4 | 0.637931 | 0.904762 |
18 | FK9 | 0.607143 | 0.904762 |
19 | GLC NBU GAL GLA | 0.548387 | 0.880952 |
20 | BHE | 0.545455 | 0.930233 |
21 | L6T | 0.539683 | 0.930233 |
22 | J5B | 0.537037 | 0.829268 |
23 | EBQ | 0.537037 | 0.829268 |
24 | BGL | 0.526316 | 1 |
25 | 6UZ | 0.507463 | 0.795455 |
26 | OPM MAN MAN | 0.507246 | 0.928571 |
27 | HSH GLA FUC | 0.492958 | 0.930233 |
28 | 4YA | 0.492537 | 0.930233 |
29 | AOG FUC | 0.485714 | 0.769231 |
30 | FEE | 0.480519 | 0.754717 |
31 | BGC 5VQ GAL GLA | 0.47619 | 0.833333 |
32 | GM3 | 0.473684 | 0.769231 |
33 | MA4 | 0.465753 | 0.833333 |
34 | AGH | 0.461538 | 0.754717 |
35 | F61 | 0.461538 | 0.754717 |
36 | 0SH | 0.461538 | 0.754717 |
37 | PBS | 0.461538 | 0.754717 |
38 | DA8 | 0.458333 | 0.930233 |
39 | 10M | 0.457143 | 0.888889 |
40 | RGG | 0.454545 | 0.731707 |
41 | CM5 | 0.452055 | 0.833333 |
42 | SOG | 0.45 | 0.883721 |
43 | MMA MAN | 0.440678 | 0.744186 |
44 | GYP | 0.44 | 0.756098 |
45 | MMA | 0.44 | 0.756098 |
46 | MBG | 0.44 | 0.756098 |
47 | AMG | 0.44 | 0.756098 |
48 | AIG FUC | 0.43662 | 0.769231 |
49 | U2D GLC | 0.43662 | 0.930233 |
50 | GLC EDO GLC | 0.435484 | 0.744186 |
51 | 03F | 0.433735 | 0.740741 |
52 | HTG | 0.433333 | 0.883721 |
53 | AD7 | 0.432432 | 0.769231 |
54 | GAL SPH NER | 0.428571 | 0.754717 |
55 | 1O2 | 0.421687 | 0.909091 |
56 | MK0 | 0.421053 | 0.784314 |
57 | 3TF | 0.416667 | 0.909091 |
58 | DGD | 0.416667 | 0.888889 |
59 | JLS | 0.413793 | 0.740741 |
60 | BHG FUC | 0.410959 | 0.930233 |
61 | BGC GLC GLC GLC GLC | 0.409836 | 0.738095 |
62 | BGC GLC GLC GLC GLC GLC | 0.409836 | 0.738095 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | JWH | 0.9255 |
2 | NND | 0.9213 |
3 | LGS | 0.9137 |
4 | AMF | 0.9104 |
5 | RNB | 0.9056 |
6 | DHP | 0.9023 |
7 | 3NB | 0.9023 |
8 | GLC HEX | 0.9010 |
9 | JWW | 0.8994 |
10 | AI7 | 0.8887 |
11 | DCQ | 0.8854 |
12 | 22S | 0.8838 |
13 | AM3 | 0.8822 |
14 | OXR | 0.8803 |
15 | 17T | 0.8781 |
16 | 16O | 0.8774 |
17 | 17S | 0.8768 |
18 | 20X | 0.8756 |
19 | 18S | 0.8742 |
20 | 26Y | 0.8730 |
21 | BZD | 0.8722 |
22 | DL6 | 0.8720 |
23 | 8P5 | 0.8700 |
24 | 12E | 0.8690 |
25 | UQ2 | 0.8661 |
26 | 23V | 0.8661 |
27 | RTL | 0.8648 |
28 | RET | 0.8641 |
29 | AZE | 0.8637 |
30 | 22O | 0.8595 |
31 | SNP | 0.8589 |
32 | QDR | 0.8584 |
33 | IDE | 0.8582 |
34 | KWK | 0.8526 |
This union binding pocket(no: 1) in the query (biounit: 3h2k.bio1) has 7 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 3h2k.bio1) has 24 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |