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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 214 families. | |||||
1 | 3JZB | ic50 ~ 0.1 nM | 4HY | C14 H9 I3 O4 | c1cc(c(cc1.... |
2 | 4LNW | - | T3 | C15 H12 I3 N O4 | c1cc(c(cc1.... |
3 | 2H79 | - | T3 | C15 H12 I3 N O4 | c1cc(c(cc1.... |
4 | 3ILZ | - | B72 | C20 H24 O4 | Cc1cc(cc(c.... |
5 | 3HZF | - | B72 | C20 H24 O4 | Cc1cc(cc(c.... |
6 | 1NAV | - | IH5 | C17 H16 Cl2 O4 | CC(C)c1cc(.... |
7 | 4LNX | - | T44 | C15 H11 I4 N O4 | c1c(cc(c(c.... |
8 | 2H77 | - | T3 | C15 H12 I3 N O4 | c1cc(c(cc1.... |
9 | 1N46 | Ki = 0.03 nM | PFA | C20 H21 N3 O4 | Cc1cc(cc(c.... |
10 | 2PIN | - | LEG | C15 H20 O | CCCCCCc1cc.... |
11 | 3GWS | - | T3 | C15 H12 I3 N O4 | c1cc(c(cc1.... |
12 | 2J4A | - | OEF | C18 H18 Br2 O4 | CC(C)c1cc(.... |
13 | 3D57 | - | 4HY | C14 H9 I3 O4 | c1cc(c(cc1.... |
14 | 1NQ2 | - | 4HY | C14 H9 I3 O4 | c1cc(c(cc1.... |
15 | 1XZX | Kd = 0.06 nM | T3 | C15 H12 I3 N O4 | c1cc(c(cc1.... |
16 | 3JZC | ic50 ~ 1 nM | 4HY | C14 H9 I3 O4 | c1cc(c(cc1.... |
17 | 1NQ0 | - | 4HY | C14 H9 I3 O4 | c1cc(c(cc1.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 220 families. | |||||
1 | 3ILZ | - | B72 | C20 H24 O4 | Cc1cc(cc(c.... |
2 | 1FCZ | Kd = 0.6 nM | 156 | C24 H26 O3 | CC1(CCC(c2.... |
3 | 1FD0 | Kd ~ 4 nM | 254 | C26 H27 N O3 | CC1(CCC(c2.... |
4 | 1FCX | Kd = 64 nM | 184 | C26 H28 O3 | CC1(CCC(c2.... |
5 | 6FX0 | - | E9T | C27 H26 O3 | c1cc(cc2c1.... |
6 | 1N46 | Ki = 0.03 nM | PFA | C20 H21 N3 O4 | Cc1cc(cc(c.... |
7 | 2PIN | - | LEG | C15 H20 O | CCCCCCc1cc.... |
8 | 2LBD | - | REA | C20 H28 O2 | CC1=C(C(CC.... |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | T44 | 0.9315 |
2 | KFS | 0.9087 |
3 | OEF | 0.9070 |
4 | W1G | 0.9046 |
5 | HGK | 0.9019 |
6 | PV4 | 0.9007 |
7 | IO2 | 0.8955 |
8 | B72 | 0.8872 |
9 | VIB | 0.8829 |
10 | E9P | 0.8784 |
11 | JW2 | 0.8725 |
12 | FT2 | 0.8666 |
13 | QTJ | 0.8646 |
14 | AT2 | 0.8637 |
15 | 5PP | 0.8635 |
16 | A11 | 0.8624 |
17 | FT3 | 0.8613 |
18 | EWD | 0.8602 |
19 | QTK | 0.8563 |
20 | 43F | 0.8560 |
21 | RCF | 0.8534 |
22 | 9HK | 0.8521 |
23 | JA3 | 0.8516 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | 3O5 | 0.9249 |
2 | 5RD | 0.9216 |
3 | AD6 | 0.9152 |
4 | 856 | 0.9132 |
5 | M25 | 0.9120 |
6 | M29 | 0.9048 |
7 | B15 | 0.9028 |
8 | J1K | 0.9021 |
9 | L4K | 0.9007 |
10 | DVK | 0.8968 |
11 | RPN | 0.8903 |
12 | 0H9 | 0.8850 |
13 | 3UF | 0.8802 |
14 | EP1 | 0.8798 |
15 | LWA | 0.8797 |
16 | 109 | 0.8777 |
17 | TEF | 0.8719 |
18 | M28 | 0.8686 |
19 | EZ1 | 0.8653 |
20 | K3T | 0.8626 |
21 | VD9 | 0.8611 |
22 | 4AF | 0.8565 |
23 | 5UN | 0.8529 |
24 | 4UM | 0.8507 |
This union binding pocket(no: 1) in the query (biounit: 1n46.bio1) has 27 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 1n46.bio1) has 25 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |