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- 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 3 families. | |||||
1 | 5X7E | - | 7ZU | C28 H44 O3 | C[C@H](/C=.... |
2 | 2ZBZ | - | VDX | C27 H44 O3 | C[C@H](CCC.... |
3 | 3CV9 | - | VDX | C27 H44 O3 | C[C@H](CCC.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 14 families. | |||||
1 | 3A50 | - | VD3 | C27 H44 O | CC(C)CCC[C.... |
2 | 3A51 | - | VDY | C27 H44 O2 | C[C@H](CCC.... |
3 | 5FOI | Kd = 1 nM | MY8 | C29 H49 N O6 | CC[C@@H]1[.... |
4 | 5GWE | Kd = 62 uM | GWM | C7 H9 O4 P | Cc1ccc(cc1.... |
5 | 5XJN | - | 88L | C8 H11 O4 P | CCc1ccc(cc.... |
6 | 4OQR | Kd = 29.3 uM | 2UO | C23 H34 O5 | CC[C@H](C).... |
7 | 4UBS | Kd = 65 uM | DIF | C14 H11 Cl2 N O2 | c1ccc(c(c1.... |
8 | 5L1O | Kd = 7.2 uM | 7PF | C15 H18 O5 | CC1(C[C@H].... |
9 | 5L1U | Kd = 340 uM | 7PF | C15 H18 O5 | CC1(C[C@H].... |
10 | 5L1S | Kd = 160 uM | 7PF | C15 H18 O5 | CC1(C[C@H].... |
11 | 5L1V | Kd = 43 uM | 7PF | C15 H18 O5 | CC1(C[C@H].... |
12 | 5L1Q | Kd = 170 uM | 7DF | C15 H20 O5 | CC1(C[C@H].... |
13 | 5L1P | - | 7PT | C15 H16 O5 | C[C@H]1[C@.... |
14 | 2NZ5 | Kd = 10.5 uM | 226 | C10 H8 O5 | c1c(cc(c2c.... |
15 | 5IT1 | - | 2OH | C15 H16 O2 | CC(C)(c1cc.... |
16 | 2WI9 | Kd = 309 uM | 1D2 | C20 H39 N O3 | C[C@@H]1C[.... |
17 | 2VZM | Kd = 171.9 uM | NRB | C28 H47 N O7 | CC[C@@H]1[.... |
18 | 4B7S | Kd = 81 uM | QLE | C22 H37 N O5 | CC[C@@H]1[.... |
19 | 3ZK5 | Kd = 118 uM | Z18 | C21 H35 N O5 | CC[C@@H]1[.... |
20 | 5X7E | - | 7ZU | C28 H44 O3 | C[C@H](/C=.... |
21 | 2ZBZ | - | VDX | C27 H44 O3 | C[C@H](CCC.... |
22 | 3CV9 | - | VDX | C27 H44 O3 | C[C@H](CCC.... |
23 | 2XBK | Kd = 4 uM | XBK | C33 H47 N O12 | C[C@@H]1CC.... |
24 | 6ZI7 | - | QR8 | C20 H36 O6 | C[C@H]1C[C.... |
25 | 6ZHZ | - | QR8 | C20 H36 O6 | C[C@H]1C[C.... |
26 | 6ZI3 | - | DEB | C21 H38 O6 | CC[C@@H]1[.... |
27 | 6M4P | - | F4O | C40 H53 N O14 | Cc1c2c(c3c.... |
28 | 1Z8Q | - | DEB | C21 H38 O6 | CC[C@@H]1[.... |
29 | 1Z8P | - | DEB | C21 H38 O6 | CC[C@@H]1[.... |
30 | 1JIN | - | KTN | C26 H28 Cl2 N4 O4 | CC(=O)N1CC.... |
31 | 1JIO | - | DEB | C21 H38 O6 | CC[C@@H]1[.... |
32 | 1Z8O | - | DEB | C21 H38 O6 | CC[C@@H]1[.... |
33 | 1S1F | - | PIM | C9 H8 N2 | c1ccc(cc1).... |
34 | 2D09 | Kd = 7.3 uM | FLV | C10 H6 O5 | c1c(cc(c2c.... |
35 | 1T93 | - | FLV | C10 H6 O5 | c1c(cc(c2c.... |
36 | 2D0E | Kd = 43 uM | NQ | C10 H6 O3 | c1ccc2c(c1.... |
37 | 1XQD | Kd = 0.07 mM | DND | C21 H27 N6 O15 P2 | c1cc(c[n+].... |
38 | 6GK6 | Kd = 2.1 uM | MYR | C14 H28 O2 | CCCCCCCCCC.... |
39 | 5L91 | Kd = 91 uM | C0R | C21 H30 O4 | C[C@]12CCC.... |
40 | 5L94 | Kd = 105 uM | TES | C19 H28 O2 | C[C@]12CC[.... |
41 | 4AW3 | - | MYV | C37 H61 N O12 | CC[C@@H]1[.... |
42 | 2Y5N | - | MYV | C37 H61 N O12 | CC[C@@H]1[.... |
43 | 3ZSN | - | MIV | C37 H61 N O11 | CC[C@@H]1[.... |
44 | 2Y98 | - | MIV | C37 H61 N O11 | CC[C@@H]1[.... |
45 | 2Y5Z | - | ZM3 | C36 H59 N O11 | CC[C@@H]1[.... |
46 | 2YCA | - | ZM3 | C36 H59 N O11 | CC[C@@H]1[.... |
47 | 2Y46 | - | MIV | C37 H61 N O11 | CC[C@@H]1[.... |
48 | 3WVS | - | RRM | C32 H48 O7 | CCCC[C@H]1.... |
49 | 6TO2 | Kd = 20 nM | NQ8 | C19 H30 O | C[C@@]12CC.... |
50 | 4J6C | - | STR | C21 H30 O2 | CC(=O)[C@H.... |
51 | 4JBT | - | ASD | C19 H26 O2 | C[C@]12CCC.... |
52 | 4J6B | - | PLO | C21 H32 O2 | CC(=O)[C@H.... |
53 | 4J6D | - | TES | C19 H28 O2 | C[C@]12CC[.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | 7ZU | 1 | 1 |
2 | MC9 | 0.761905 | 0.95 |
3 | EB1 | 0.706522 | 0.926829 |
4 | VDX | 0.641304 | 0.951219 |
5 | BIV | 0.630435 | 0.951219 |
6 | 91W | 0.617021 | 0.906977 |
7 | FMV | 0.614583 | 0.866667 |
8 | KH1 | 0.59596 | 0.844444 |
9 | JC1 | 0.59375 | 0.844444 |
10 | TEJ | 0.565657 | 0.844444 |
11 | 6VH | 0.553398 | 0.829787 |
12 | ICJ | 0.543689 | 0.928571 |
13 | 8J0 | 0.533333 | 0.904762 |
14 | 8J3 | 0.533333 | 0.904762 |
15 | M7E | 0.523364 | 0.637931 |
16 | ZNE | 0.509091 | 0.716981 |
17 | 0CO | 0.485437 | 0.847826 |
18 | COV | 0.485437 | 0.847826 |
19 | NYA | 0.470588 | 0.95 |
20 | VDP | 0.459677 | 0.603175 |
21 | MVD | 0.443396 | 0.951219 |
22 | VDY | 0.431373 | 0.878049 |
23 | ZYD | 0.431373 | 0.951219 |
24 | MI4 | 0.428571 | 0.926829 |
25 | TT2 | 0.423423 | 0.926829 |
26 | O1C | 0.419643 | 0.886364 |
27 | YS3 | 0.415842 | 0.975 |
28 | C33 | 0.410714 | 0.928571 |
29 | OCC | 0.408696 | 0.829787 |
30 | YS2 | 0.405941 | 0.863636 |
31 | VDZ | 0.403846 | 0.951219 |
32 | YSV | 0.403846 | 0.951219 |
33 | YSD | 0.403846 | 0.926829 |
34 | C3O | 0.403509 | 0.847826 |
35 | VHW | 0.403226 | 0.730769 |
36 | VD1 | 0.402062 | 0.902439 |
37 | VD3 | 0.401961 | 0.804878 |
No: | Ligand | Similarity coefficient |
---|
This union binding pocket(no: 1) in the query (biounit: 3cv9.bio1) has 30 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |