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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 1331 families. | |||||
1 | 5OXM | - | ASP GLU | n/a | n/a |
2 | 4D2C | - | ALA PHE | n/a | n/a |
3 | 5OXO | - | CIT | C6 H8 O7 | C(C(=O)O)C.... |
4 | 6GHJ | Kd = 6.89 mM | PHE ALA GLN | n/a | n/a |
5 | 5OXN | - | PHE ALA | n/a | n/a |
6 | 5OXK | - | ALA GLN | n/a | n/a |
7 | 5D59 | - | PHE | C9 H11 N O2 | c1ccc(cc1).... |
8 | 5D58 | - | ALA PHE | n/a | n/a |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 1144 families. | |||||
1 | 5OXM | - | ASP GLU | n/a | n/a |
2 | 4D2C | - | ALA PHE | n/a | n/a |
3 | 5OXO | - | CIT | C6 H8 O7 | C(C(=O)O)C.... |
4 | 6GHJ | Kd = 6.89 mM | PHE ALA GLN | n/a | n/a |
5 | 5OXN | - | PHE ALA | n/a | n/a |
6 | 5OXK | - | ALA GLN | n/a | n/a |
7 | 5D59 | - | PHE | C9 H11 N O2 | c1ccc(cc1).... |
8 | 5D58 | - | ALA PHE | n/a | n/a |
9 | 6EXS | ic50 = 362 uM | C3H | C12 H24 N2 O4 S | CCC[C@@](C.... |
10 | 4IKZ | - | AFS | C5 H13 N2 O4 P | C[C@@H](C(.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | ALA GLN | 1 | 1 |
2 | ALA LYS | 0.555556 | 0.756757 |
3 | ALA LEU | 0.536585 | 0.764706 |
4 | ALA ARG | 0.510204 | 0.690476 |
5 | LEU GLU | 0.479167 | 0.882353 |
6 | ALA DGL | 0.466667 | 1 |
7 | ALA PHE | 0.45098 | 0.764706 |
8 | ASP GLU | 0.4375 | 0.9375 |
9 | PHE ALA GLN | 0.435484 | 0.911765 |
10 | SER SER ARG THR ARG ARG GLU GLU GLN LEU | 0.431034 | 0.861111 |
11 | ALA ALA | 0.425 | 0.71875 |
12 | GLN LYS | 0.407407 | 0.810811 |
13 | VAL LYS | 0.403846 | 0.717949 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | ALA GLU | 0.9675 |
2 | NLG | 0.9267 |
3 | 2QE | 0.9200 |
4 | GLY MET | 0.9190 |
5 | EGV | 0.9168 |
6 | 8V0 | 0.9149 |
7 | CIL | 0.9141 |
8 | IN2 | 0.9134 |
9 | AQK | 0.9133 |
10 | NLQ | 0.9067 |
11 | AE5 | 0.9030 |
12 | ALA ZGL | 0.8965 |
13 | OKM | 0.8965 |
14 | AOR | 0.8940 |
15 | DHJ | 0.8937 |
16 | DY8 | 0.8927 |
17 | HCA | 0.8913 |
18 | C4L | 0.8908 |
19 | G01 | 0.8886 |
20 | 3ZA | 0.8881 |
21 | GLY LEU | 0.8878 |
22 | RSM | 0.8824 |
23 | 7QD | 0.8824 |
24 | AVA | 0.8821 |
25 | K48 | 0.8805 |
26 | 5XW | 0.8795 |
27 | AME | 0.8790 |
28 | MS8 | 0.8787 |
29 | NBB | 0.8783 |
30 | DG2 | 0.8773 |
31 | NIG | 0.8768 |
32 | HCT | 0.8766 |
33 | G88 | 0.8766 |
34 | C26 | 0.8757 |
35 | JAA | 0.8735 |
36 | HS6 | 0.8732 |
37 | ALA VAL ALA | 0.8720 |
38 | 2J3 | 0.8715 |
39 | BGT | 0.8713 |
40 | AVO | 0.8684 |
41 | PAL | 0.8684 |
42 | MZM | 0.8672 |
43 | 3S6 | 0.8657 |
44 | X6P | 0.8650 |
45 | CH5 | 0.8647 |
46 | ASF | 0.8634 |
47 | PRO LEU | 0.8633 |
48 | 9XZ | 0.8632 |
49 | 8DX | 0.8631 |
50 | LFQ | 0.8626 |
51 | HS7 | 0.8623 |
52 | RV1 | 0.8614 |
53 | GGG | 0.8602 |
54 | 2OH | 0.8602 |
55 | S1D | 0.8594 |
56 | F6R | 0.8583 |
57 | JSX | 0.8563 |
58 | HSA | 0.8556 |
59 | Q4G | 0.8551 |
60 | AED | 0.8539 |
61 | 1OH | 0.8522 |
This union binding pocket(no: 1) in the query (biounit: 6ghj.bio1) has 21 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |