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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 1 families. | |||||
1 | 4WKT | Ki = 0.00055 M | BUB | C4 H11 B O2 | B(CCCC)(O).... |
2 | 4K2F | ic50 = 0.04 uM | A08 | C13 H8 Cl2 N2 | c1cc(nc(c1.... |
3 | 3SRC | ic50 = 130 uM | 28N | C9 H5 Br N2 O3 | c1cc2c(cc1.... |
4 | 2WYD | - | DAO | C12 H24 O2 | CCCCCCCCCC.... |
5 | 3SRB | ic50 = 65 uM | 28S | C11 H10 Br N3 | C=CCNc1c2c.... |
6 | 2WYC | - | 3LA | C12 H22 O3 | CCCCCCCCCC.... |
7 | 4K2G | ic50 = 0.02 uM | 1OQ | C14 H8 F4 N2 | c1cc(nc(c1.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 1 families. | |||||
1 | 4WKT | Ki = 0.00055 M | BUB | C4 H11 B O2 | B(CCCC)(O).... |
2 | 4K2F | ic50 = 0.04 uM | A08 | C13 H8 Cl2 N2 | c1cc(nc(c1.... |
3 | 3SRC | ic50 = 130 uM | 28N | C9 H5 Br N2 O3 | c1cc2c(cc1.... |
4 | 2WYD | - | DAO | C12 H24 O2 | CCCCCCCCCC.... |
5 | 3SRB | ic50 = 65 uM | 28S | C11 H10 Br N3 | C=CCNc1c2c.... |
6 | 2WYC | - | 3LA | C12 H22 O3 | CCCCCCCCCC.... |
7 | 4K2G | ic50 = 0.02 uM | 1OQ | C14 H8 F4 N2 | c1cc(nc(c1.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | 3LA | 1 | 1 |
2 | 14V | 0.8 | 0.923077 |
3 | OOA | 0.75 | 0.958333 |
4 | KTC | 0.638889 | 0.92 |
5 | MYR | 0.606061 | 0.8 |
6 | EW8 | 0.606061 | 0.8 |
7 | DAO | 0.606061 | 0.8 |
8 | KNA | 0.606061 | 0.8 |
9 | F23 | 0.606061 | 0.8 |
10 | DCR | 0.606061 | 0.8 |
11 | PLM | 0.606061 | 0.8 |
12 | STE | 0.606061 | 0.8 |
13 | X90 | 0.606061 | 0.8 |
14 | DKA | 0.606061 | 0.8 |
15 | F15 | 0.606061 | 0.8 |
16 | TDA | 0.606061 | 0.8 |
17 | 11A | 0.606061 | 0.8 |
18 | OCA | 0.575758 | 0.8 |
19 | SHV | 0.5 | 0.76 |
20 | OLA | 0.47619 | 0.769231 |
21 | NER | 0.47619 | 0.769231 |
22 | ELA | 0.47619 | 0.769231 |
23 | 14U | 0.452381 | 0.884615 |
24 | PAM | 0.44186 | 0.769231 |
25 | VCA | 0.44186 | 0.769231 |
26 | 6NA | 0.428571 | 0.72 |
27 | AZ1 | 0.424242 | 0.62963 |
This union binding pocket(no: 1) in the query (biounit: 4k2g.bio1) has 36 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 1JW0 | GUA | 43.4615 |