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- Structure Biounit | Ligand Information
- 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 426 families. | |||||
1 | 4O9S | ic50 = 0.28 uM | 2RY | C22 H21 F3 N4 O S | c1ccc(c(c1.... |
2 | 4PSQ | ic50 = 0.44 uM | 2WL | C21 H21 Cl N4 O | c1ccc(cc1).... |
3 | 1FEM | - | REA | C20 H28 O2 | CC1=C(C(CC.... |
4 | 1RBP | Kd = 0.19 uM | RTL | C20 H30 O | CC1=C(C(CC.... |
5 | 1KT5 | - | RTL | C20 H30 O | CC1=C(C(CC.... |
6 | 1ERB | Kd = 8 nM | ETR | C22 H33 N O | CCNC(=O)C=.... |
7 | 1BRP | - | RTL | C20 H30 O | CC1=C(C(CC.... |
8 | 5NU8 | - | PLM | C16 H32 O2 | CCCCCCCCCC.... |
9 | 5NU2 | - | PLM | C16 H32 O2 | CCCCCCCCCC.... |
10 | 1FEN | - | AZE | C20 H30 | CC=C(/C)C=.... |
11 | 1HBP | - | RTL | C20 H30 O | CC1=C(C(CC.... |
12 | 5NTY | - | PLM | C16 H32 O2 | CCCCCCCCCC.... |
13 | 5NUB | - | DAO | C12 H24 O2 | CCCCCCCCCC.... |
14 | 1FEL | - | FEN | C26 H33 N O2 | CC1=C(C(CC.... |
15 | 1KT6 | - | RTL | C20 H30 O | CC1=C(C(CC.... |
16 | 1AQB | - | RTL | C20 H30 O | CC1=C(C(CC.... |
17 | 5NU7 | - | RTL | C20 H30 O | CC1=C(C(CC.... |
18 | 1KT7 | - | RTL | C20 H30 O | CC1=C(C(CC.... |
19 | 5NU9 | - | PLM | C16 H32 O2 | CCCCCCCCCC.... |
20 | 5NUA | - | DAO | C12 H24 O2 | CCCCCCCCCC.... |
21 | 1KT4 | - | RTL | C20 H30 O | CC1=C(C(CC.... |
22 | 1KT3 | - | RTL | C20 H30 O | CC1=C(C(CC.... |
23 | 5NU6 | - | PLM | C16 H32 O2 | CCCCCCCCCC.... |
24 | 1IIU | - | RTL | C20 H30 O | CC1=C(C(CC.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 322 families. | |||||
1 | 4O9S | ic50 = 0.28 uM | 2RY | C22 H21 F3 N4 O S | c1ccc(c(c1.... |
2 | 4PSQ | ic50 = 0.44 uM | 2WL | C21 H21 Cl N4 O | c1ccc(cc1).... |
3 | 1FEM | - | REA | C20 H28 O2 | CC1=C(C(CC.... |
4 | 1RBP | Kd = 0.19 uM | RTL | C20 H30 O | CC1=C(C(CC.... |
5 | 1KT5 | - | RTL | C20 H30 O | CC1=C(C(CC.... |
6 | 1ERB | Kd = 8 nM | ETR | C22 H33 N O | CCNC(=O)C=.... |
7 | 1BRP | - | RTL | C20 H30 O | CC1=C(C(CC.... |
8 | 5NU8 | - | PLM | C16 H32 O2 | CCCCCCCCCC.... |
9 | 5NU2 | - | PLM | C16 H32 O2 | CCCCCCCCCC.... |
10 | 1FEN | - | AZE | C20 H30 | CC=C(/C)C=.... |
11 | 1HBP | - | RTL | C20 H30 O | CC1=C(C(CC.... |
12 | 5NTY | - | PLM | C16 H32 O2 | CCCCCCCCCC.... |
13 | 5NUB | - | DAO | C12 H24 O2 | CCCCCCCCCC.... |
14 | 1FEL | - | FEN | C26 H33 N O2 | CC1=C(C(CC.... |
15 | 1KT6 | - | RTL | C20 H30 O | CC1=C(C(CC.... |
16 | 1AQB | - | RTL | C20 H30 O | CC1=C(C(CC.... |
17 | 5NU7 | - | RTL | C20 H30 O | CC1=C(C(CC.... |
18 | 1KT7 | - | RTL | C20 H30 O | CC1=C(C(CC.... |
19 | 5NU9 | - | PLM | C16 H32 O2 | CCCCCCCCCC.... |
20 | 5NUA | - | DAO | C12 H24 O2 | CCCCCCCCCC.... |
21 | 1KT4 | - | RTL | C20 H30 O | CC1=C(C(CC.... |
22 | 1KT3 | - | RTL | C20 H30 O | CC1=C(C(CC.... |
23 | 5NU6 | - | PLM | C16 H32 O2 | CCCCCCCCCC.... |
24 | 1IIU | - | RTL | C20 H30 O | CC1=C(C(CC.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | PLM | 1 | 1 |
2 | STE | 1 | 1 |
3 | MYR | 1 | 1 |
4 | TDA | 1 | 1 |
5 | F23 | 1 | 1 |
6 | DAO | 1 | 1 |
7 | X90 | 1 | 1 |
8 | DCR | 1 | 1 |
9 | KNA | 1 | 1 |
10 | 11A | 1 | 1 |
11 | EW8 | 1 | 1 |
12 | F15 | 1 | 1 |
13 | DKA | 1 | 1 |
14 | OCA | 0.956522 | 1 |
15 | SHV | 0.833333 | 0.952381 |
16 | KTC | 0.793103 | 0.875 |
17 | AZ1 | 0.73913 | 0.64 |
18 | 6NA | 0.72 | 0.904762 |
19 | ELA | 0.71875 | 0.954545 |
20 | NER | 0.71875 | 0.954545 |
21 | OLA | 0.71875 | 0.954545 |
22 | PAM | 0.666667 | 0.954545 |
23 | VCA | 0.666667 | 0.954545 |
24 | PML | 0.625 | 0.6 |
25 | 3LA | 0.606061 | 0.8 |
26 | LEA | 0.6 | 0.809524 |
27 | MYZ | 0.588235 | 0.909091 |
28 | 12H | 0.586207 | 0.615385 |
29 | ODD | 0.567568 | 0.913043 |
30 | BRC | 0.566667 | 0.666667 |
31 | 14V | 0.555556 | 0.740741 |
32 | M12 | 0.545455 | 0.869565 |
33 | 14U | 0.542857 | 0.703704 |
34 | EOD | 0.538462 | 0.7 |
35 | EIC | 0.538462 | 0.913043 |
36 | BMJ | 0.5 | 0.954545 |
37 | BNV | 0.5 | 0.954545 |
38 | D0G | 0.5 | 0.954545 |
39 | BUA | 0.48 | 0.666667 |
40 | RCL | 0.468085 | 0.84 |
41 | FTT | 0.459459 | 0.807692 |
42 | 56S | 0.459459 | 0.653846 |
43 | HXD | 0.459459 | 0.807692 |
44 | T4T | 0.459459 | 0.8 |
45 | ODT | 0.452381 | 0.782609 |
46 | 3X1 | 0.444444 | 0.818182 |
47 | LNL | 0.44186 | 0.826087 |
48 | 9J6 | 0.441176 | 0.666667 |
49 | OOA | 0.441176 | 0.76 |
50 | CUY | 0.435897 | 0.68 |
51 | CNS | 0.435897 | 0.68 |
52 | 6UL | 0.435897 | 0.68 |
53 | 5UF | 0.432432 | 0.807692 |
54 | 243 | 0.428571 | 0.807692 |
55 | EKG | 0.418605 | 0.606061 |
56 | GYM | 0.418605 | 0.606061 |
57 | 1QW | 0.418605 | 0.606061 |
58 | OC9 | 0.413793 | 0.75 |
59 | PL3 | 0.413793 | 0.75 |
60 | F09 | 0.413793 | 0.75 |
61 | DE1 | 0.413793 | 0.75 |
62 | 1DO | 0.413793 | 0.75 |
63 | O8N | 0.413793 | 0.75 |
64 | T25 | 0.403846 | 0.677419 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | TER | 0.9527 |
2 | MD2 | 0.9466 |
3 | SPM | 0.9445 |
4 | U4G | 0.9437 |
5 | Q9C | 0.9408 |
6 | GC7 | 0.9372 |
7 | O48 | 0.9349 |
8 | B33 | 0.9303 |
9 | SSV | 0.9222 |
10 | Y39 | 0.9193 |
11 | XS6 | 0.9189 |
12 | C14 | 0.9178 |
13 | BDD | 0.9136 |
14 | 5D4 | 0.9062 |
15 | ZE7 | 0.8990 |
16 | SS9 | 0.8978 |
17 | 9OD | 0.8973 |
18 | FOF | 0.8923 |
19 | M21 | 0.8865 |
20 | CBH | 0.8793 |
21 | DXJ | 0.8791 |
22 | OKS | 0.8786 |
23 | HJD | 0.8701 |
24 | 8AC | 0.8661 |
25 | FKS | 0.8660 |
26 | HRG | 0.8656 |
27 | 2YF | 0.8632 |
28 | ACA ACA | 0.8627 |
29 | PAO | 0.8601 |
30 | HZZ | 0.8590 |
31 | DTB | 0.8557 |
32 | ALY | 0.8541 |
This union binding pocket(no: 1) in the query (biounit: 1erb.bio1) has 28 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |