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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 | DE1 | 1 | 1 |
2 | O8N | 1 | 1 |
3 | OC9 | 1 | 1 |
4 | 1DO | 1 | 1 |
5 | PL3 | 1 | 1 |
6 | F09 | 1 | 1 |
7 | HE4 | 0.944444 | 1 |
8 | HE2 | 0.789474 | 0.952381 |
9 | PE9 | 0.631579 | 0.904762 |
10 | ODI | 0.611111 | 0.666667 |
11 | HEZ | 0.555556 | 0.666667 |
12 | 1BO | 0.526316 | 0.761905 |
13 | B8M | 0.5 | 0.913043 |
14 | 9JE | 0.473684 | 0.625 |
15 | BOM | 0.441176 | 0.826087 |
16 | BDD | 0.44 | 0.666667 |
17 | JAO | 0.419355 | 0.863636 |
18 | EW8 | 0.413793 | 0.75 |
19 | DAO | 0.413793 | 0.75 |
20 | KNA | 0.413793 | 0.75 |
21 | MYR | 0.413793 | 0.75 |
22 | DCR | 0.413793 | 0.75 |
23 | 12H | 0.413793 | 0.615385 |
24 | F23 | 0.413793 | 0.75 |
25 | TDA | 0.413793 | 0.75 |
26 | X90 | 0.413793 | 0.75 |
27 | STE | 0.413793 | 0.75 |
28 | DKA | 0.413793 | 0.75 |
29 | F15 | 0.413793 | 0.75 |
30 | 11A | 0.413793 | 0.75 |
31 | PLM | 0.413793 | 0.75 |
32 | C10 | 0.4 | 0.714286 |
33 | CE9 | 0.4 | 0.714286 |
34 | N8E | 0.4 | 0.714286 |
35 | BHL BHL | 0.4 | 0.666667 |
36 | CE1 | 0.4 | 0.714286 |
37 | BHL | 0.4 | 0.666667 |
38 | C8E | 0.4 | 0.714286 |
39 | 1EX | 0.4 | 0.782609 |
40 | 32M | 0.4 | 0.714286 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | OYA | 1.0000 |
2 | NSD | 0.9983 |
3 | AE3 | 0.9870 |
4 | OCA | 0.9647 |
5 | OCT | 0.9627 |
6 | SPD | 0.9604 |
7 | AG2 | 0.9602 |
8 | D10 | 0.9594 |
9 | 16D | 0.9512 |
10 | HPL | 0.9480 |
11 | 011 | 0.9479 |
12 | MHN | 0.9472 |
13 | DIA | 0.9441 |
14 | N6C | 0.9428 |
15 | ONH | 0.9421 |
16 | PG0 | 0.9415 |
17 | ACA | 0.9389 |
18 | M1T | 0.9382 |
19 | 3OM | 0.9379 |
20 | NF3 | 0.9346 |
21 | LYS | 0.9328 |
22 | SHV | 0.9319 |
23 | KQY | 0.9309 |
24 | NWH | 0.9309 |
25 | TEG | 0.9284 |
26 | 7XA | 0.9278 |
27 | 3OL | 0.9272 |
28 | HPN | 0.9269 |
29 | MLZ | 0.9265 |
30 | SSB | 0.9256 |
31 | 8AC | 0.9240 |
32 | CLT | 0.9235 |
33 | N8C | 0.9208 |
34 | GVA | 0.9206 |
35 | 5XA | 0.9194 |
36 | ENV | 0.9188 |
37 | 37Z | 0.9187 |
38 | NTU | 0.9180 |
39 | AJ3 | 0.9172 |
40 | HP6 | 0.9168 |
41 | PML | 0.9166 |
42 | NMH | 0.9154 |
43 | SLZ | 0.9142 |
44 | 6XA | 0.9138 |
45 | ARG | 0.9137 |
46 | HNE | 0.9133 |
47 | 0L1 | 0.9111 |
48 | 266 | 0.9098 |
49 | 4DI | 0.9093 |
50 | ENW | 0.9089 |
51 | EOU | 0.9082 |
52 | 1H1 | 0.9077 |
53 | GRQ | 0.9074 |
54 | XOG | 0.9056 |
55 | SS9 | 0.9052 |
56 | BHH | 0.9036 |
57 | 64Z | 0.9001 |
58 | FXY | 0.9000 |
59 | 9J6 | 0.8988 |
60 | 650 | 0.8987 |
61 | JX7 | 0.8982 |
62 | ORN | 0.8973 |
63 | 6NA | 0.8963 |
64 | EXY | 0.8959 |
65 | CIR | 0.8957 |
66 | 0VT | 0.8957 |
67 | 7C3 | 0.8949 |
68 | GGB | 0.8946 |
69 | UN1 | 0.8943 |
70 | 8SZ | 0.8934 |
71 | DAR | 0.8922 |
72 | X1R | 0.8920 |
73 | MLY | 0.8905 |
74 | NOT | 0.8893 |
75 | YIV | 0.8889 |
76 | DHH | 0.8873 |
77 | NPI | 0.8873 |
78 | LYN | 0.8868 |
79 | K6V | 0.8857 |
80 | DLY | 0.8842 |
81 | MET | 0.8829 |
82 | 3YP | 0.8824 |
83 | O8Y | 0.8819 |
84 | 4TB | 0.8812 |
85 | 7BC | 0.8812 |
86 | GLY GLY GLY | 0.8812 |
87 | ILO | 0.8811 |
88 | OHJ | 0.8811 |
89 | 1N5 | 0.8810 |
90 | DAV | 0.8805 |
91 | DZA | 0.8795 |
92 | 11C | 0.8794 |
93 | DHM | 0.8790 |
94 | LUQ | 0.8776 |
95 | 58X | 0.8771 |
96 | OOG | 0.8764 |
97 | AHN | 0.8756 |
98 | PBN | 0.8753 |
99 | B3M | 0.8748 |
100 | LPA | 0.8740 |
101 | FOM | 0.8738 |
102 | ONL | 0.8721 |
103 | 6HN | 0.8716 |
104 | 492 | 0.8713 |
105 | IXW | 0.8712 |
106 | HPO | 0.8710 |
107 | 9YT | 0.8700 |
108 | 2FM | 0.8695 |
109 | NLE | 0.8688 |
110 | KPC | 0.8686 |
111 | DIR | 0.8677 |
112 | 3H2 | 0.8669 |
113 | 9GB | 0.8666 |
114 | HTX | 0.8661 |
115 | GLY GLY | 0.8660 |
116 | DLT | 0.8657 |
117 | 1HS | 0.8647 |
118 | 7OD | 0.8646 |
119 | SHO | 0.8591 |
120 | GC7 | 0.8573 |
121 | 1KA | 0.8566 |
122 | 2J3 | 0.8538 |
123 | HAR | 0.8523 |
This union binding pocket(no: 1) in the query (biounit: 2qhv.bio1) has 15 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |