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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 4 families. | |||||
1 | 4C6H | - | HE2 | C6 H14 O | CCCCCCO |
2 | 1K6E | - | 1BP | C3 H7 Br O | C[C@H](CBr.... |
3 | 2BFN | - | D2P | C3 H6 Cl2 O | C([C@@H](C.... |
4 | 1G42 | Ki = 0.97 mM | CP2 | C3 H6 Cl2 | C[C@@H](CC.... |
5 | 1G5F | Ki = 2.31 mM | DCE | C2 H4 Cl2 | C(CCl)Cl |
6 | 1K63 | - | BRP | C3 H5 Br O | C=C(CO)Br |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 3 families. | |||||
1 | 4F5Z | - | BEZ | C7 H6 O2 | c1ccc(cc1).... |
2 | 4C6H | - | HE2 | C6 H14 O | CCCCCCO |
3 | 2PSJ | Ki ~ 20 nM | CEI | C25 H21 N3 O3 | c1ccc(cc1).... |
4 | 1K6E | - | 1BP | C3 H7 Br O | C[C@H](CBr.... |
5 | 2BFN | - | D2P | C3 H6 Cl2 O | C([C@@H](C.... |
6 | 1G42 | Ki = 0.97 mM | CP2 | C3 H6 Cl2 | C[C@@H](CC.... |
7 | 1G5F | Ki = 2.31 mM | DCE | C2 H4 Cl2 | C(CCl)Cl |
8 | 1K63 | - | BRP | C3 H5 Br O | C=C(CO)Br |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | OSM | 1.0000 |
2 | 3BR | 1.0000 |
3 | BRJ | 1.0000 |
4 | EDO | 0.9870 |
5 | AXO | 0.9818 |
6 | QPT | 0.9718 |
7 | GLY | 0.9659 |
8 | NOE | 0.9567 |
9 | CRD | 0.9465 |
10 | PXO | 0.9428 |
11 | 3CL | 0.9424 |
12 | 13D | 0.9405 |
13 | CB0 | 0.9393 |
14 | 9A4 | 0.9281 |
15 | 9A7 | 0.9237 |
16 | ATO | 0.9235 |
17 | 1BP | 0.9226 |
18 | BRP | 0.9215 |
19 | BBU | 0.9195 |
20 | F3V | 0.9171 |
21 | TCV | 0.9149 |
22 | TSZ | 0.9140 |
23 | HAE | 0.9129 |
24 | MGX | 0.9100 |
25 | NMU | 0.9095 |
26 | PPI | 0.9082 |
27 | 2A1 | 0.9073 |
28 | AKR | 0.9063 |
29 | HVB | 0.9047 |
30 | CP2 | 0.9047 |
31 | GLV | 0.9042 |
32 | FAH | 0.9023 |
33 | BBX | 0.9004 |
34 | AGU | 0.9002 |
35 | NIE | 0.8993 |
36 | J3K | 0.8990 |
37 | GOA | 0.8987 |
38 | 61G | 0.8981 |
39 | F50 | 0.8975 |
40 | R3W | 0.8970 |
41 | NHY | 0.8969 |
42 | BXO | 0.8952 |
43 | ALA | 0.8949 |
44 | HP4 | 0.8916 |
45 | 2A3 | 0.8914 |
46 | MSM | 0.8900 |
47 | SO2 | 0.8894 |
48 | 73M | 0.8891 |
49 | GOL | 0.8867 |
50 | BXA | 0.8830 |
51 | 2HA | 0.8818 |
52 | MEU | 0.8784 |
53 | PE9 | 0.8784 |
54 | SAR | 0.8778 |
55 | PUT | 0.8769 |
56 | MMU | 0.8749 |
57 | N2O | 0.8715 |
58 | XAP | 0.8713 |
59 | BUA | 0.8705 |
60 | ETX | 0.8700 |
61 | CPT | 0.8687 |
62 | ABA | 0.8658 |
63 | BAL | 0.8652 |
64 | ITU | 0.8635 |
65 | BU4 | 0.8620 |
66 | BUB | 0.8594 |
67 | GXV | 0.8587 |
This union binding pocket(no: 1) in the query (biounit: 1g42.bio1) has 2 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 1g42.bio1) has 17 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 3) in the query (biounit: 1g42.bio1) has 17 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |