- Navigate
- Expand All | Collapse All
- Receptor | Ligand | View in 3D
- Family: 90% | 70% | 50% | site
- External Links
- |
- Download
- 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 266 families. | |||||
1 | 4Q0A | Kd = 0.33 uM | 4OA | C24 H40 O3 | C[C@H](CCC.... |
2 | 3A3Z | - | 2MV | C29 H46 O4 | C[C@H]1[C@.... |
3 | 1IE8 | - | KH1 | C29 H48 O4 | CCC(CC)(CC.... |
4 | 2HAS | - | C3O | C30 H50 O4 | CCCO[C@H]1.... |
5 | 1S0Z | - | EB1 | C30 H46 O3 | CCC(CC)(C=.... |
6 | 3AZ1 | - | DS2 | C27 H38 O5 | CCC(CC)(c1.... |
7 | 1IE9 | - | VDX | C27 H44 O3 | C[C@H](CCC.... |
8 | 2HAM | - | C33 | C30 H50 O3 | CCC[C@H]1[.... |
9 | 2HB8 | - | MVD | C28 H46 O3 | C[C@H]1[C@.... |
10 | 3CS4 | - | COV | C28 H44 O4 | C[C@]12CCC.... |
11 | 1S19 | - | MC9 | C27 H40 O3 | C[C@H](C=C.... |
12 | 3M7R | - | VDX | C27 H44 O3 | C[C@H](CCC.... |
13 | 3A40 | - | 23R | C29 H46 O4 | C[C@H]1[C@.... |
14 | 3AUR | - | CA9 | C27 H42 O3 | C[C@H]1[C@.... |
15 | 3KPZ | - | ZNE | C28 H41 N O3 S | C[C@H](CCC.... |
16 | 1TXI | - | TX5 | C26 H40 O3 | C[C@H](CC#.... |
17 | 1DB1 | Kd = 0.55 nM | VDX | C27 H44 O3 | C[C@H](CCC.... |
18 | 4G2I | - | 0VQ | C25 H26 F6 O3 | CC/C(=CC=C.... |
19 | 3CS6 | - | 0CO | C28 H44 O4 | C[C@]12CCC.... |
20 | 3AZ2 | - | DS3 | C30 H44 O5 | CCC(CC)(c1.... |
21 | 3AZ3 | - | DS6 | C31 H46 O5 | CCC(CC)(c1.... |
22 | 5YT2 | - | 90O | C29 H48 O4 | C[C@H](CCC.... |
23 | 5GIE | Kd = 769.2 nM | VDP | C37 H53 N O4 | C[C@H](C[C.... |
24 | 2HB7 | - | O1C | C30 H50 O4 | C[C@H](CCC.... |
25 | 3VHW | - | VHW | C34 H50 O7 | CCC1(CC/C(.... |
26 | 2HAR | - | OCC | C30 H50 O5 | C[C@H](CCC.... |
27 | 5GID | Kd = 769.2 nM | VDP | C37 H53 N O4 | C[C@H](C[C.... |
28 | 3TKC | - | FMV | C28 H40 O4 | C[C@H](c1c.... |
29 | 4ITE | - | TEY | C30 H48 N4 O3 | C[C@H](CCC.... |
30 | 5GIC | Kd = 330.9 nM | DLC | C35 H51 N O4 | C[C@H]1/C(.... |
31 | 3P8X | - | ZYD | C27 H44 O3 | CC(C)(CCCC.... |
32 | 5YSY | - | 90L | C29 H48 O4 | C[C@H](CCC.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 220 families. | |||||
1 | 4Q0A | Kd = 0.33 uM | 4OA | C24 H40 O3 | C[C@H](CCC.... |
2 | 3A3Z | - | 2MV | C29 H46 O4 | C[C@H]1[C@.... |
3 | 1IE8 | - | KH1 | C29 H48 O4 | CCC(CC)(CC.... |
4 | 2HAS | - | C3O | C30 H50 O4 | CCCO[C@H]1.... |
5 | 1S0Z | - | EB1 | C30 H46 O3 | CCC(CC)(C=.... |
6 | 3AZ1 | - | DS2 | C27 H38 O5 | CCC(CC)(c1.... |
7 | 1IE9 | - | VDX | C27 H44 O3 | C[C@H](CCC.... |
8 | 2HAM | - | C33 | C30 H50 O3 | CCC[C@H]1[.... |
9 | 2HB8 | - | MVD | C28 H46 O3 | C[C@H]1[C@.... |
10 | 3CS4 | - | COV | C28 H44 O4 | C[C@]12CCC.... |
11 | 1S19 | - | MC9 | C27 H40 O3 | C[C@H](C=C.... |
12 | 3M7R | - | VDX | C27 H44 O3 | C[C@H](CCC.... |
13 | 3A40 | - | 23R | C29 H46 O4 | C[C@H]1[C@.... |
14 | 3AUR | - | CA9 | C27 H42 O3 | C[C@H]1[C@.... |
15 | 3KPZ | - | ZNE | C28 H41 N O3 S | C[C@H](CCC.... |
16 | 1TXI | - | TX5 | C26 H40 O3 | C[C@H](CC#.... |
17 | 1DB1 | Kd = 0.55 nM | VDX | C27 H44 O3 | C[C@H](CCC.... |
18 | 4G2I | - | 0VQ | C25 H26 F6 O3 | CC/C(=CC=C.... |
19 | 3CS6 | - | 0CO | C28 H44 O4 | C[C@]12CCC.... |
20 | 3AZ2 | - | DS3 | C30 H44 O5 | CCC(CC)(c1.... |
21 | 3AZ3 | - | DS6 | C31 H46 O5 | CCC(CC)(c1.... |
22 | 5YT2 | - | 90O | C29 H48 O4 | C[C@H](CCC.... |
23 | 5GIE | Kd = 769.2 nM | VDP | C37 H53 N O4 | C[C@H](C[C.... |
24 | 2HB7 | - | O1C | C30 H50 O4 | C[C@H](CCC.... |
25 | 3VHW | - | VHW | C34 H50 O7 | CCC1(CC/C(.... |
26 | 2HAR | - | OCC | C30 H50 O5 | C[C@H](CCC.... |
27 | 5GID | Kd = 769.2 nM | VDP | C37 H53 N O4 | C[C@H](C[C.... |
28 | 3TKC | - | FMV | C28 H40 O4 | C[C@H](c1c.... |
29 | 4ITE | - | TEY | C30 H48 N4 O3 | C[C@H](CCC.... |
30 | 1PQ9 | - | BNS | C6 H6 O3 S | c1ccc(cc1).... |
31 | 4RAK | Ki = 14 nM | 652 | C28 H29 Cl N2 O3 S | CC(C)(c1cc.... |
32 | 6S4T | Ki = 0.00000079 M | KVB | C32 H24 F3 N O3 | c1ccc(cc1).... |
33 | 6K9H | Ki = 600 nM | D40 | C22 H24 N2 O3 | CC(C)(C)OC.... |
34 | 1UPV | - | 444 | C17 H12 F9 N O3 S | c1ccc(cc1).... |
35 | 1PQ6 | - | 965 | C33 H31 Cl F3 N O3 | c1ccc(cc1).... |
36 | 6S4N | Kd = 1.6 uM | KUW | C24 H27 Cl N4 O5 S | CC(C)N1C(=.... |
37 | 1UPW | - | 444 | C17 H12 F9 N O3 S | c1ccc(cc1).... |
38 | 5JY3 | Ki = 12 nM | 6OX | C29 H28 Cl2 F2 N2 O4 S | CC(C)(c1cn.... |
39 | 3KFC | ic50 = 2.8 nM | 61X | C23 H16 F3 N O3 S | CS(=O)(=O).... |
40 | 6S5K | Ki = 0.00000079 M | KWE | C28 H28 N2 O2 | c1ccc(cc1).... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | VDX | 1 | 1 |
2 | BIV | 0.758621 | 1 |
3 | MVD | 0.714286 | 1 |
4 | VDY | 0.712644 | 0.926829 |
5 | M7E | 0.693878 | 0.672414 |
6 | VDZ | 0.674157 | 1 |
7 | YSV | 0.674157 | 1 |
8 | C33 | 0.659794 | 0.97619 |
9 | ZNE | 0.656863 | 0.754717 |
10 | VD2 | 0.655556 | 0.97561 |
11 | O1C | 0.653061 | 0.931818 |
12 | C3O | 0.646465 | 0.891304 |
13 | 7ZU | 0.641304 | 0.951219 |
14 | OCC | 0.633663 | 0.87234 |
15 | TEJ | 0.628866 | 0.847826 |
16 | JC1 | 0.625 | 0.888889 |
17 | MC9 | 0.623656 | 0.904762 |
18 | 91W | 0.614583 | 0.866667 |
19 | KH1 | 0.61 | 0.888889 |
20 | 8J3 | 0.607843 | 0.906977 |
21 | 8J0 | 0.607843 | 0.906977 |
22 | EB1 | 0.6 | 0.928571 |
23 | FMV | 0.58 | 0.829787 |
24 | TEY | 0.576577 | 0.621212 |
25 | ICJ | 0.572816 | 0.97619 |
26 | 6VH | 0.567308 | 0.833333 |
27 | YS3 | 0.553191 | 0.97561 |
28 | VD3 | 0.553191 | 0.853659 |
29 | YS2 | 0.542553 | 0.909091 |
30 | VDP | 0.520661 | 0.634921 |
31 | AKX | 0.518519 | 0.930233 |
32 | YSD | 0.50505 | 0.928571 |
33 | ZYD | 0.50505 | 1 |
34 | 0CO | 0.5 | 0.851064 |
35 | COV | 0.5 | 0.851064 |
36 | VD1 | 0.463158 | 0.904762 |
37 | TX5 | 0.455446 | 0.904762 |
38 | 8BL | 0.446429 | 0.909091 |
39 | 8BO | 0.442478 | 0.888889 |
40 | 9RO | 0.442478 | 0.888889 |
41 | G72 | 0.4375 | 0.851064 |
42 | H97 | 0.4375 | 0.851064 |
43 | YA1 | 0.435185 | 0.97619 |
44 | YI3 | 0.425926 | 0.952381 |
45 | AYT | 0.419048 | 0.926829 |
46 | YI4 | 0.405405 | 0.909091 |
47 | TKA | 0.403509 | 0.906977 |
48 | TK3 | 0.401709 | 0.906977 |
This union binding pocket(no: 1) in the query (biounit: 1db1.bio1) has 52 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |