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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 | 4WYC | Kd = 15 uM | 3VS | C10 H9 N3 O | c1cc(ccc1C.... |
2 | 4CXR | - | 2BG | C8 H8 N2 S | c1ccc2c(c1.... |
3 | 3TFU | - | PL8 | C16 H22 N3 O7 P | Cc1c(c(c(c.... |
4 | 4MQR | - | 2B9 | C14 H15 N4 O6 P | CC1=C(/C(=.... |
5 | 4MQP | - | 2B1 | C15 H15 N4 O5 P S | Cc1c(c(c(c.... |
6 | 4XJO | Kd = 132 nM | 41O | C20 H17 Cl N2 O2 | c1cc(cc(c1.... |
7 | 5KGS | Kd = 74 nM | 6SR | C21 H20 N2 O4 | c1cc2c(cc1.... |
8 | 4W1W | ic50 = 0.195 uM | 3G8 | C18 H17 N O3 S | CCN(CC)c1c.... |
9 | 4WYG | Kd = 6.8 uM | 3W1 | C11 H12 Cl N3 | c1cc(ccc1C.... |
10 | 4MQQ | - | 2B6 | C16 H15 N4 O6 P S | Cc1c(c(c(c.... |
11 | 4XEW | ic50 = 0.44 uM | 40N | C16 H10 F N O3 | c1ccc(c(c1.... |
12 | 4W1V | ic50 = 0.659 uM | 3GS | C16 H14 F N O5 S | COC(=O)c1c.... |
13 | 4XJP | Kd = 108 nM | 41N | C20 H20 N2 O4 | CC(=O)c1cc.... |
14 | 4WYF | Kd = 21.7 uM | 3VX | C11 H9 N O2 | CC(=O)Nc1c.... |
15 | 4WYA | Kd = 6.9 uM | 3VQ | C10 H8 N2 O S | c1ccnc(c1).... |
16 | 4W1X | - | 3G9 | C19 H19 Cl N2 O2 | CC(=O)c1cc.... |
17 | 5KGT | - | 6SQ | C20 H20 Cl N O2 | CC(=O)c1cc.... |
18 | 4WYE | Kd = 41.8 uM | 3VW | C12 H15 N O | c1ccc(cc1).... |
19 | 4CXQ | - | KAP | C9 H17 N O3 | C[C@@H](C(.... |
20 | 4WYD | Kd = 11.7 uM | 3VR | C12 H15 N3 | CNCc1ccc(c.... |
21 | 3LV2 | - | SFG | C15 H23 N7 O5 | c1nc(c2c(n.... |
22 | 5TE2 | - | 7B9 | C16 H22 N3 O7 P | Cc1c(c(c(c.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 1 families. | |||||
1 | 4WYC | Kd = 15 uM | 3VS | C10 H9 N3 O | c1cc(ccc1C.... |
2 | 4CXR | - | 2BG | C8 H8 N2 S | c1ccc2c(c1.... |
3 | 3TFU | - | PL8 | C16 H22 N3 O7 P | Cc1c(c(c(c.... |
4 | 4W1W | ic50 = 0.195 uM | 3G8 | C18 H17 N O3 S | CCN(CC)c1c.... |
5 | 4WYG | Kd = 6.8 uM | 3W1 | C11 H12 Cl N3 | c1cc(ccc1C.... |
6 | 4MQQ | - | 2B6 | C16 H15 N4 O6 P S | Cc1c(c(c(c.... |
7 | 4XEW | ic50 = 0.44 uM | 40N | C16 H10 F N O3 | c1ccc(c(c1.... |
8 | 4W1V | ic50 = 0.659 uM | 3GS | C16 H14 F N O5 S | COC(=O)c1c.... |
9 | 4XJP | Kd = 108 nM | 41N | C20 H20 N2 O4 | CC(=O)c1cc.... |
10 | 4WYF | Kd = 21.7 uM | 3VX | C11 H9 N O2 | CC(=O)Nc1c.... |
11 | 4WYA | Kd = 6.9 uM | 3VQ | C10 H8 N2 O S | c1ccnc(c1).... |
12 | 4W1X | - | 3G9 | C19 H19 Cl N2 O2 | CC(=O)c1cc.... |
13 | 5KGT | - | 6SQ | C20 H20 Cl N O2 | CC(=O)c1cc.... |
14 | 4WYE | Kd = 41.8 uM | 3VW | C12 H15 N O | c1ccc(cc1).... |
15 | 4CXQ | - | KAP | C9 H17 N O3 | C[C@@H](C(.... |
16 | 4WYD | Kd = 11.7 uM | 3VR | C12 H15 N3 | CNCc1ccc(c.... |
17 | 3LV2 | - | SFG | C15 H23 N7 O5 | c1nc(c2c(n.... |
18 | 5TE2 | - | 7B9 | C16 H22 N3 O7 P | Cc1c(c(c(c.... |
19 | 1MLZ | - | TZA PLP | n/a | n/a |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | 2B6 | 1 | 1 |
2 | 2B1 | 0.666667 | 0.876712 |
3 | CKT | 0.47191 | 0.72973 |
4 | LCS | 0.442105 | 0.78481 |
5 | 1D0 | 0.436893 | 0.717949 |
6 | PXP | 0.432099 | 0.630137 |
7 | PLG | 0.426966 | 0.653846 |
8 | PMP | 0.426829 | 0.662162 |
9 | 5B6 | 0.425926 | 0.75 |
10 | RMT | 0.425743 | 0.710526 |
11 | GT1 | 0.421687 | 0.613333 |
12 | PPG | 0.415842 | 0.670886 |
13 | IK2 | 0.408602 | 0.670886 |
14 | C6P | 0.4 | 0.697368 |
15 | PPD | 0.4 | 0.675325 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | 2B9 | 0.9109 |