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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 337 families. | |||||
1 | 4QLY | - | FMN | C17 H21 N4 O9 P | Cc1cc2c(cc.... |
2 | 4QLX | - | KTC | C18 H34 O3 | CCCCCCCCC(.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 225 families. | |||||
1 | 4QLY | - | FMN | C17 H21 N4 O9 P | Cc1cc2c(cc.... |
2 | 4QLX | - | KTC | C18 H34 O3 | CCCCCCCCC(.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | FMN | 1 | 1 |
2 | RBF | 0.75641 | 0.876712 |
3 | 9O9 | 0.574468 | 0.934211 |
4 | RS3 | 0.571429 | 0.831169 |
5 | FAD | 0.543307 | 0.876543 |
6 | FAS | 0.543307 | 0.876543 |
7 | FAE | 0.539062 | 0.865854 |
8 | UBG | 0.534351 | 0.888889 |
9 | 5DD | 0.475248 | 0.972603 |
10 | LFN | 0.475 | 0.643836 |
11 | C3F | 0.473684 | 0.74359 |
12 | CF4 | 0.463918 | 0.734177 |
13 | FAY | 0.446043 | 0.864198 |
14 | FNR | 0.444444 | 0.909091 |
15 | RFL | 0.442857 | 0.845238 |
16 | 4LS | 0.411215 | 0.875 |
17 | 1VY | 0.406593 | 0.769231 |
18 | DLZ | 0.404494 | 0.782051 |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | KTC | 1 | 1 |
2 | DAO | 0.793103 | 0.875 |
3 | MYR | 0.793103 | 0.875 |
4 | EW8 | 0.793103 | 0.875 |
5 | KNA | 0.793103 | 0.875 |
6 | PLM | 0.793103 | 0.875 |
7 | DCR | 0.793103 | 0.875 |
8 | 11A | 0.793103 | 0.875 |
9 | F15 | 0.793103 | 0.875 |
10 | X90 | 0.793103 | 0.875 |
11 | F23 | 0.793103 | 0.875 |
12 | TDA | 0.793103 | 0.875 |
13 | DKA | 0.793103 | 0.875 |
14 | STE | 0.793103 | 0.875 |
15 | OCA | 0.758621 | 0.875 |
16 | SHV | 0.666667 | 0.833333 |
17 | 3LA | 0.638889 | 0.92 |
18 | ELA | 0.605263 | 0.84 |
19 | OLA | 0.605263 | 0.84 |
20 | NER | 0.605263 | 0.84 |
21 | 14V | 0.589744 | 0.851852 |
22 | AZ1 | 0.586207 | 0.692308 |
23 | 6NA | 0.580645 | 0.791667 |
24 | PAM | 0.564103 | 0.84 |
25 | VCA | 0.564103 | 0.84 |
26 | PML | 0.5 | 0.653846 |
27 | MYZ | 0.5 | 0.8 |
28 | ODD | 0.488372 | 0.807692 |
29 | 12H | 0.485714 | 0.607143 |
30 | LEA | 0.483871 | 0.708333 |
31 | 140 | 0.47619 | 0.605263 |
32 | EOD | 0.466667 | 0.741935 |
33 | EIC | 0.466667 | 0.807692 |
34 | 14U | 0.463415 | 0.814815 |
35 | M12 | 0.461538 | 0.769231 |
36 | OOA | 0.447368 | 0.88 |
37 | 0L1 | 0.433333 | 0.615385 |
38 | D0G | 0.428571 | 0.84 |
39 | BMJ | 0.428571 | 0.84 |
40 | BNV | 0.428571 | 0.84 |
41 | RCL | 0.415094 | 0.884615 |
42 | 2JT | 0.4 | 0.617647 |
43 | G2A | 0.4 | 0.617647 |
No: | Ligand | Similarity coefficient |
---|
This union binding pocket(no: 1) in the query (biounit: 4qlx.bio1) has 25 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 4qlx.bio1) has 26 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 3) in the query (biounit: 4qlx.bio1) has 34 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 4) in the query (biounit: 4qlx.bio1) has 30 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |