- 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 271 families. | |||||
1 | 5X72 | Kd = 467 nM | P59 | C20 H15 F N2 O | c1ccc(cc1).... |
2 | 5ML2 | Kd = 13 nM | NH6 | C25 H27 Cl N2 O4 S2 | c1ccc(cc1).... |
3 | 5ML6 | Kd = 358 pM | 9GD | C32 H39 Cl N4 O6 S2 | c1cc(ccc1C.... |
4 | 5X74 | Kd = 2.3 nM | JAY | C35 H33 F2 N5 O2 | c1ccc(c(c1.... |
5 | 5ML3 | Kd = 203 pM | DL3 | C30 H39 Cl N6 O4 S2 | CNc1nccc(n.... |
6 | 4JV6 | Kd = 217 nM | 18F | C20 H16 N2 | c1ccc(cc1).... |
7 | 5ML4 | Kd < 2 nM | RRQ | C33 H41 Cl N4 O6 S2 | CNc1cc(ccc.... |
8 | 5E8F | Kd = 2.3 nM | LYS SER LYS THR CMT GER | n/a | n/a |
9 | 4JVB | Kd = 39 nM | 1M0 | C38 H32 N4 O | C=CC[C@H](.... |
10 | 3T5I | - | CYS SER GLN GLN GLY LYS SER SER CMT FAR | n/a | n/a |
11 | 4JVF | Kd = 10 nM | 17X | C40 H42 N6 O2 | c1ccc(cc1).... |
12 | 5X73 | Kd = 184 nM | P59 | C20 H15 F N2 O | c1ccc(cc1).... |
13 | 4JV8 | - | 1M1 | C19 H14 N4 | c1ccc2c(c1.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 223 families. | |||||
1 | 5X72 | Kd = 467 nM | P59 | C20 H15 F N2 O | c1ccc(cc1).... |
2 | 5ML2 | Kd = 13 nM | NH6 | C25 H27 Cl N2 O4 S2 | c1ccc(cc1).... |
3 | 5ML6 | Kd = 358 pM | 9GD | C32 H39 Cl N4 O6 S2 | c1cc(ccc1C.... |
4 | 5X74 | Kd = 2.3 nM | JAY | C35 H33 F2 N5 O2 | c1ccc(c(c1.... |
5 | 5ML3 | Kd = 203 pM | DL3 | C30 H39 Cl N6 O4 S2 | CNc1nccc(n.... |
6 | 4JV6 | Kd = 217 nM | 18F | C20 H16 N2 | c1ccc(cc1).... |
7 | 5ML4 | Kd < 2 nM | RRQ | C33 H41 Cl N4 O6 S2 | CNc1cc(ccc.... |
8 | 5E8F | Kd = 2.3 nM | LYS SER LYS THR CMT GER | n/a | n/a |
9 | 4JVB | Kd = 39 nM | 1M0 | C38 H32 N4 O | C=CC[C@H](.... |
10 | 3T5I | - | CYS SER GLN GLN GLY LYS SER SER CMT FAR | n/a | n/a |
11 | 4JVF | Kd = 10 nM | 17X | C40 H42 N6 O2 | c1ccc(cc1).... |
12 | 5X73 | Kd = 184 nM | P59 | C20 H15 F N2 O | c1ccc(cc1).... |
13 | 4JV8 | - | 1M1 | C19 H14 N4 | c1ccc2c(c1.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | 1M1 | 1 | 1 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | 18F | 0.9539 |
2 | P59 | 0.9321 |
3 | 57Q | 0.9296 |
4 | 3RH | 0.9164 |
5 | E2R | 0.9141 |
6 | P57 | 0.9119 |
7 | 1JR | 0.9034 |
8 | UIH | 0.8994 |
9 | JVE | 0.8992 |
10 | LZL | 0.8960 |
11 | M2N | 0.8957 |
12 | ET | 0.8932 |
13 | MKY | 0.8923 |
14 | ALH | 0.8903 |
15 | FLU | 0.8852 |
16 | 2BZ | 0.8842 |
17 | 07U | 0.8842 |
18 | IR1 | 0.8830 |
19 | 96X | 0.8811 |
20 | 3E2 | 0.8800 |
21 | P69 | 0.8788 |
22 | MRX | 0.8764 |
23 | KB8 | 0.8748 |
24 | AO6 | 0.8739 |
25 | 9KQ | 0.8726 |
26 | FID | 0.8722 |
27 | SC3 | 0.8710 |
28 | 8JF | 0.8706 |
29 | S3O | 0.8706 |
30 | 6VK | 0.8682 |
31 | GOH | 0.8680 |
32 | M4V | 0.8668 |
33 | 982 | 0.8656 |
34 | F7T | 0.8653 |
35 | HXP | 0.8647 |
36 | 65A | 0.8607 |
37 | 8HZ | 0.8607 |
38 | IA7 | 0.8603 |
39 | VKE | 0.8590 |
40 | KLB | 0.8587 |
41 | IRG | 0.8584 |
42 | FW7 | 0.8583 |
43 | IEO | 0.8510 |
This union binding pocket(no: 1) in the query (biounit: 5ml3.bio1) has 37 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |