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- 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 6 families. | |||||
1 | 6QGV | ic50 = 0.127 uM | J2H | C30 H28 N6 O2 | Cc1cccnc1C.... |
2 | 4JZR | ic50 = 15.8 nM | 4JR | C25 H28 N4 O | Cn1ccnc1CN.... |
3 | 4BQW | - | QNM | C13 H12 N2 O5 | CN1c2ccccc.... |
4 | 5LBC | - | UN9 | C12 H9 Cl N2 O4 | c1ccc2c(c1.... |
5 | 6NMQ | ic50 = 0.00000001 M | KU1 | C11 H9 N3 O4 | c1ccc2c(c1.... |
6 | 4BQX | - | UN9 | C12 H9 Cl N2 O4 | c1ccc2c(c1.... |
7 | 2Y34 | - | UN9 | C12 H9 Cl N2 O4 | c1ccc2c(c1.... |
8 | 5L9R | - | OGA | C4 H5 N O5 | C(C(=O)O)N.... |
9 | 5LBF | - | UN9 | C12 H9 Cl N2 O4 | c1ccc2c(c1.... |
10 | 6YW0 | - | 2JP | C13 H12 N2 O3 | c1ccc2cnc(.... |
11 | 4BQY | - | FNT | C13 H11 Cl N2 O4 | C[C@@H](C(.... |
12 | 5OX5 | ic50 = 2.6 uM | B2E | C9 H11 N3 O6 | CN1C(=C(C(.... |
13 | 5OX6 | ic50 = 0.029 uM | A1Z | C14 H11 Cl N2 O4 | c1cc(cc(c1.... |
14 | 6YVZ | - | PW8 | C13 H11 Br N2 O3 | c1cc2cnc(c.... |
15 | 5LAT | - | UN9 | C12 H9 Cl N2 O4 | c1ccc2c(c1.... |
16 | 5V18 | - | 8UY | C13 H8 N4 | c1cc(n2c(c.... |
17 | 6YVW | - | PW5 | C11 H13 Br N2 O3 | Cc1cc(nc(c.... |
18 | 2G1M | - | 4HG | C12 H9 I N2 O4 | c1cc2c(cnc.... |
19 | 6ST3 | ic50 = 0.256 uM | LUW | C21 H17 N5 O3 | c1ccc(cc1).... |
20 | 2Y33 | - | UN9 | C12 H9 Cl N2 O4 | c1ccc2c(c1.... |
21 | 5LB6 | - | UN9 | C12 H9 Cl N2 O4 | c1ccc2c(c1.... |
22 | 6YVX | - | 2JP | C13 H12 N2 O3 | c1ccc2cnc(.... |
23 | 2G19 | - | 4HG | C12 H9 I N2 O4 | c1cc2c(cnc.... |
24 | 5LBE | - | UN9 | C12 H9 Cl N2 O4 | c1ccc2c(c1.... |
25 | 4UWD | - | UN9 | C12 H9 Cl N2 O4 | c1ccc2c(c1.... |
26 | 5LBB | - | UN9 | C12 H9 Cl N2 O4 | c1ccc2c(c1.... |
27 | 5V1B | ic50 = 0.034 uM | 8UY | C13 H8 N4 | c1cc(n2c(c.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 6 families. | |||||
1 | 6QGV | ic50 = 0.127 uM | J2H | C30 H28 N6 O2 | Cc1cccnc1C.... |
2 | 4JZR | ic50 = 15.8 nM | 4JR | C25 H28 N4 O | Cn1ccnc1CN.... |
3 | 4BQW | - | QNM | C13 H12 N2 O5 | CN1c2ccccc.... |
4 | 5LBC | - | UN9 | C12 H9 Cl N2 O4 | c1ccc2c(c1.... |
5 | 6NMQ | ic50 = 0.00000001 M | KU1 | C11 H9 N3 O4 | c1ccc2c(c1.... |
6 | 4BQX | - | UN9 | C12 H9 Cl N2 O4 | c1ccc2c(c1.... |
7 | 2Y34 | - | UN9 | C12 H9 Cl N2 O4 | c1ccc2c(c1.... |
8 | 5L9R | - | OGA | C4 H5 N O5 | C(C(=O)O)N.... |
9 | 5LBF | - | UN9 | C12 H9 Cl N2 O4 | c1ccc2c(c1.... |
10 | 6YW0 | - | 2JP | C13 H12 N2 O3 | c1ccc2cnc(.... |
11 | 4BQY | - | FNT | C13 H11 Cl N2 O4 | C[C@@H](C(.... |
12 | 5OX5 | ic50 = 2.6 uM | B2E | C9 H11 N3 O6 | CN1C(=C(C(.... |
13 | 5OX6 | ic50 = 0.029 uM | A1Z | C14 H11 Cl N2 O4 | c1cc(cc(c1.... |
14 | 6YVZ | - | PW8 | C13 H11 Br N2 O3 | c1cc2cnc(c.... |
15 | 5LAT | - | UN9 | C12 H9 Cl N2 O4 | c1ccc2c(c1.... |
16 | 5V18 | - | 8UY | C13 H8 N4 | c1cc(n2c(c.... |
17 | 6YVW | - | PW5 | C11 H13 Br N2 O3 | Cc1cc(nc(c.... |
18 | 2G1M | - | 4HG | C12 H9 I N2 O4 | c1cc2c(cnc.... |
19 | 6ST3 | ic50 = 0.256 uM | LUW | C21 H17 N5 O3 | c1ccc(cc1).... |
20 | 2Y33 | - | UN9 | C12 H9 Cl N2 O4 | c1ccc2c(c1.... |
21 | 5LB6 | - | UN9 | C12 H9 Cl N2 O4 | c1ccc2c(c1.... |
22 | 6YVX | - | 2JP | C13 H12 N2 O3 | c1ccc2cnc(.... |
23 | 2G19 | - | 4HG | C12 H9 I N2 O4 | c1cc2c(cnc.... |
24 | 5LBE | - | UN9 | C12 H9 Cl N2 O4 | c1ccc2c(c1.... |
25 | 4UWD | - | UN9 | C12 H9 Cl N2 O4 | c1ccc2c(c1.... |
26 | 5LBB | - | UN9 | C12 H9 Cl N2 O4 | c1ccc2c(c1.... |
27 | 5V1B | ic50 = 0.034 uM | 8UY | C13 H8 N4 | c1cc(n2c(c.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | 4JR | 1 | 1 |
No: | Ligand | Similarity coefficient |
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