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- Structure Biounit | Ligand Information
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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 | 5A5R | ic50 = 1.3 uM | NP8 | C20 H23 N5 O2 | CC1=Cc2c(c.... |
2 | 5A82 | ic50 = 2.51 uM | YEJ | C20 H28 N4 O4 S | CC1=Cc2ccn.... |
3 | 5A5Q | Kd = 21 uM | 6XC | C14 H18 N4 O | CC1=Cc2ccn.... |
4 | 6S55 | - | KW5 | C17 H21 Br N4 O5 S | C[C@H]1CCC.... |
5 | 5A81 | Kd = 2.9 uM | 78J | C21 H30 N4 O2 | CC1=Cc2ccn.... |
6 | 5A5P | ic50 = 0.1 mM | JTF | C14 H19 N3 O | CC1=Cc2ccc.... |
7 | 4TU4 | Kd = 175 uM | 37N | C18 H16 N2 O5 S | Cc1c(c(on1.... |
8 | 4TZ8 | Kd = 500 uM | 39U | C9 H13 N3 O S | CC1(Cc2c(s.... |
9 | 5A5O | - | J5I | C10 H9 N O | CC1=Cc2ccc.... |
10 | 6HDN | ic50 = 3.16 uM | FZB | C17 H22 N4 O | CC1=Cc2ccn.... |
11 | 6S57 | - | KVT | C20 H28 N4 O5 S | Cc1ccc(cc1.... |
12 | 5A5N | - | 8WS | C11 H21 N3 O3 | CC(=O)NCCC.... |
13 | 4TTE | Kd = 202 uM | 36Z | C13 H14 N2 O3 | Cc1c(c(on1.... |
14 | 4TYL | Kd = 600 uM | 39O | C10 H13 N3 O | Cc1cc2c(cc.... |
15 | 4TZ2 | Kd = 350 uM | 39R | C14 H12 N4 | c1ccc(cc1).... |
16 | 5A83 | ic50 = 0.158 uM | YD3 | C27 H34 N4 O4 S | Cc1cc(cnc1.... |
17 | 5LJ0 | ic50 = 0.00000001 M | 6XX | C28 H35 F2 N5 O3 | Cc1cc(cnc1.... |
18 | 6S56 | - | KVZ | C22 H23 Cl N4 O5 S | CN(C)S(=O).... |
19 | 6VEO | - | YD4 | C26 H33 N5 O4 S | Cc1cc(cnc1.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 3 families. | |||||
1 | 5A5R | ic50 = 1.3 uM | NP8 | C20 H23 N5 O2 | CC1=Cc2c(c.... |
2 | 5A82 | ic50 = 2.51 uM | YEJ | C20 H28 N4 O4 S | CC1=Cc2ccn.... |
3 | 5A5Q | Kd = 21 uM | 6XC | C14 H18 N4 O | CC1=Cc2ccn.... |
4 | 6S55 | - | KW5 | C17 H21 Br N4 O5 S | C[C@H]1CCC.... |
5 | 5A81 | Kd = 2.9 uM | 78J | C21 H30 N4 O2 | CC1=Cc2ccn.... |
6 | 5A5P | ic50 = 0.1 mM | JTF | C14 H19 N3 O | CC1=Cc2ccc.... |
7 | 4TU4 | Kd = 175 uM | 37N | C18 H16 N2 O5 S | Cc1c(c(on1.... |
8 | 4TZ8 | Kd = 500 uM | 39U | C9 H13 N3 O S | CC1(Cc2c(s.... |
9 | 5A5O | - | J5I | C10 H9 N O | CC1=Cc2ccc.... |
10 | 6HDN | ic50 = 3.16 uM | FZB | C17 H22 N4 O | CC1=Cc2ccn.... |
11 | 6S57 | - | KVT | C20 H28 N4 O5 S | Cc1ccc(cc1.... |
12 | 5A5N | - | 8WS | C11 H21 N3 O3 | CC(=O)NCCC.... |
13 | 4TTE | Kd = 202 uM | 36Z | C13 H14 N2 O3 | Cc1c(c(on1.... |
14 | 4TYL | Kd = 600 uM | 39O | C10 H13 N3 O | Cc1cc2c(cc.... |
15 | 4TZ2 | Kd = 350 uM | 39R | C14 H12 N4 | c1ccc(cc1).... |
16 | 5A83 | ic50 = 0.158 uM | YD3 | C27 H34 N4 O4 S | Cc1cc(cnc1.... |
17 | 5LJ0 | ic50 = 0.00000001 M | 6XX | C28 H35 F2 N5 O3 | Cc1cc(cnc1.... |
18 | 6S56 | - | KVZ | C22 H23 Cl N4 O5 S | CN(C)S(=O).... |
19 | 6VEO | - | YD4 | C26 H33 N5 O4 S | Cc1cc(cnc1.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | 8WS | 1 | 1 |
2 | ZRG | 0.509091 | 0.702128 |
3 | RSM | 0.458333 | 0.659574 |
4 | SSM | 0.458333 | 0.659574 |
5 | LYS ALA ALA ARG ALY SER ALA PRO ALA | 0.4375 | 0.756757 |
6 | GLY GLY ALY ALA PRO ARG LYS GLN | 0.430769 | 0.85 |
7 | ALY | 0.428571 | 0.769231 |
8 | 5D4 | 0.425 | 0.783784 |
This union binding pocket(no: 1) in the query (biounit: 6hdn.bio1) has 26 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 4XUB | 43D | 27.3504 |
2 | 6HAZ | FX5 | 27.6423 |
3 | 6HAZ | FX5 | 27.6423 |
4 | 6DF7 | G9V | 30.7692 |
5 | 6DF7 | G9V | 30.7692 |
6 | 6J3O | B4L | 30.7692 |
7 | 6J3P | B8O | 39.2308 |
8 | 6J3P | B8O | 39.2308 |
9 | 5MG2 | 7M8 | 40 |
10 | 5IGL | BMF | 46.9231 |
11 | 5MLJ | 9ST | 50 |