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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 35 families. | |||||
1 | 2QHV | - | OC9 | C8 H18 O | CCCCCCCCO |
2 | 2QHU | - | OYA | C8 H16 O | CCCCCCCC=O |
3 | 2QHS | - | OCA | C8 H16 O2 | CCCCCCCC(=.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 34 families. | |||||
1 | 2QHV | - | OC9 | C8 H18 O | CCCCCCCCO |
2 | 2QHU | - | OYA | C8 H16 O | CCCCCCCC=O |
3 | 2QHS | - | OCA | C8 H16 O2 | CCCCCCCC(=.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | OYA | 1 | 1 |
2 | UNA | 0.954545 | 1 |
3 | 8YP | 0.954545 | 1 |
4 | OCD | 0.954545 | 1 |
5 | O8Y | 0.695652 | 0.857143 |
6 | PTL | 0.565217 | 0.714286 |
7 | B7M | 0.545455 | 0.75 |
8 | 1EY | 0.5 | 0.6875 |
9 | OCT | 0.47619 | 0.733333 |
10 | R16 | 0.454545 | 0.733333 |
11 | TWT | 0.454545 | 0.733333 |
12 | LFA | 0.454545 | 0.733333 |
13 | D10 | 0.454545 | 0.733333 |
14 | 8K6 | 0.454545 | 0.733333 |
15 | D12 | 0.454545 | 0.733333 |
16 | C14 | 0.454545 | 0.733333 |
17 | DD9 | 0.454545 | 0.733333 |
18 | MYS | 0.454545 | 0.733333 |
19 | TRD | 0.454545 | 0.733333 |
20 | UND | 0.454545 | 0.733333 |
21 | 3X1 | 0.428571 | 0.65 |
22 | HP6 | 0.409091 | 0.666667 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | OC9 | 1.0000 |
2 | AE3 | 1.0000 |
3 | NSD | 0.9825 |
4 | AG2 | 0.9688 |
5 | HE4 | 0.9664 |
6 | ODI | 0.9649 |
7 | HPL | 0.9629 |
8 | BHL BHL | 0.9626 |
9 | BHL | 0.9626 |
10 | 16D | 0.9619 |
11 | 011 | 0.9603 |
12 | OCA | 0.9593 |
13 | DIA | 0.9579 |
14 | SPD | 0.9571 |
15 | PG0 | 0.9453 |
16 | KQY | 0.9405 |
17 | LYS | 0.9380 |
18 | 3OL | 0.9378 |
19 | 5XA | 0.9378 |
20 | N6C | 0.9354 |
21 | HPN | 0.9349 |
22 | MLZ | 0.9321 |
23 | ACA | 0.9315 |
24 | 6XA | 0.9309 |
25 | MHN | 0.9298 |
26 | NWH | 0.9285 |
27 | NF3 | 0.9283 |
28 | ENV | 0.9267 |
29 | GVA | 0.9262 |
30 | ONH | 0.9254 |
31 | 8AC | 0.9236 |
32 | TEG | 0.9235 |
33 | N8C | 0.9230 |
34 | PML | 0.9221 |
35 | SHV | 0.9215 |
36 | KNA | 0.9200 |
37 | DKA | 0.9200 |
38 | CLT | 0.9200 |
39 | 3OM | 0.9194 |
40 | M1T | 0.9173 |
41 | 7XA | 0.9166 |
42 | NTU | 0.9152 |
43 | NMH | 0.9152 |
44 | DAR | 0.9142 |
45 | BHH | 0.9135 |
46 | ENW | 0.9123 |
47 | FXY | 0.9118 |
48 | PJL | 0.9118 |
49 | 0L1 | 0.9090 |
50 | SS9 | 0.9072 |
51 | ARG | 0.9058 |
52 | 37Z | 0.9051 |
53 | 7BC | 0.9050 |
54 | HNE | 0.9042 |
55 | HOC | 0.9023 |
56 | DE1 | 0.9000 |
57 | 64Z | 0.8968 |
58 | 6NA | 0.8963 |
59 | 650 | 0.8960 |
60 | 266 | 0.8948 |
61 | 1H1 | 0.8944 |
62 | 8SZ | 0.8943 |
63 | GRQ | 0.8936 |
64 | 7UC | 0.8933 |
65 | SLZ | 0.8925 |
66 | EXY | 0.8920 |
67 | NOT | 0.8917 |
68 | 3YP | 0.8916 |
69 | MEQ | 0.8910 |
70 | AJ3 | 0.8905 |
71 | 4DI | 0.8900 |
72 | JX7 | 0.8861 |
73 | HE2 | 0.8855 |
74 | 9J6 | 0.8832 |
75 | CIR | 0.8828 |
76 | 7OD | 0.8826 |
77 | MLY | 0.8825 |
78 | OHJ | 0.8822 |
79 | DLT | 0.8811 |
80 | UN1 | 0.8808 |
81 | GGB | 0.8808 |
82 | GLY GLY GLY | 0.8808 |
83 | LYN | 0.8797 |
84 | DZA | 0.8794 |
85 | LPA | 0.8789 |
86 | DLY | 0.8771 |
87 | 7C3 | 0.8766 |
88 | B3M | 0.8738 |
89 | NPI | 0.8731 |
90 | YIV | 0.8725 |
91 | XOG | 0.8715 |
92 | ILO | 0.8712 |
93 | DHH | 0.8678 |
94 | HTX | 0.8665 |
95 | 2FM | 0.8656 |
96 | K6V | 0.8652 |
97 | 1N5 | 0.8650 |
98 | HGA | 0.8647 |
99 | NNH | 0.8643 |
100 | 6HN | 0.8642 |
101 | GGG | 0.8636 |
102 | HPO | 0.8631 |
103 | 1KA | 0.8607 |
104 | 58X | 0.8590 |
105 | U4G | 0.8581 |
This union binding pocket(no: 1) in the query (biounit: 2qhv.bio1) has 15 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |