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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 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 | 0CO | 1 | 1 |
2 | COV | 1 | 1 |
3 | 2MV | 0.731183 | 1 |
4 | 23R | 0.731183 | 1 |
5 | BIV | 0.519608 | 0.851064 |
6 | VDX | 0.5 | 0.851064 |
7 | 91W | 0.495238 | 0.893617 |
8 | 7ZU | 0.485437 | 0.847826 |
9 | FMV | 0.481481 | 0.857143 |
10 | 6VH | 0.473214 | 0.754717 |
11 | KH1 | 0.468468 | 0.836735 |
12 | JC1 | 0.462963 | 0.836735 |
13 | EB1 | 0.459459 | 0.829787 |
14 | MC9 | 0.457143 | 0.808511 |
15 | TEJ | 0.454545 | 0.875 |
16 | M7E | 0.435897 | 0.645161 |
17 | 8J3 | 0.431034 | 0.8125 |
18 | 8J0 | 0.431034 | 0.8125 |
19 | ICJ | 0.426087 | 0.833333 |
20 | ZYD | 0.424528 | 0.851064 |
21 | ZNE | 0.413223 | 0.719298 |
This union binding pocket(no: 1) in the query (biounit: 1db1.bio1) has 52 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |