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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 5 families. | |||||
1 | 2WXP | ic50 = 3 nM | GD9 | C23 H27 N7 O3 S2 | CS(=O)(=O).... |
2 | 2WXL | ic50 = 4.6 nM | ZS4 | C19 H21 F2 N7 O2 | c1ccc2c(c1.... |
3 | 6TNR | ic50 = 0.00000001 M | NQ2 | C25 H35 N3 O6 S | CC(C)(C1CC.... |
4 | 2WXO | ic50 = 90 nM | ZZP | C22 H19 F N4 O4 S | COC1=CC(=C.... |
5 | 6Q74 | - | HKN | C22 H24 N4 O4 S | Cc1nc(cn1C.... |
6 | 5T2B | ic50 = 5 nM | 74O | C19 H18 N8 | Cn1c(nc(n1.... |
7 | 2WXF | ic50 = 180 nM | 039 | C21 H15 Cl N6 O2 S | COc1ccccc1.... |
8 | 6ZAC | - | QDE | C18 H24 N4 O4 S | CN(C)Cc1cc.... |
9 | 6FTN | ic50 = 200 nM | E78 | C20 H23 N3 O2 S | Cc1cc(cc2c.... |
10 | 6TNS | ic50 = 0.00000001 M | NQ5 | C25 H33 N3 O8 S | COCCS(=O)(.... |
11 | 5NCZ | ic50 = 0.79 nM | 8TN | C24 H25 N7 O S | CC1=CSC2=C.... |
12 | 4XE0 | ic50 = 19 nM | 40L | C22 H18 F N7 O | CC[C@@H](C.... |
13 | 2X38 | ic50 = 130 nM | IC8 | C22 H19 N7 O | Cc1ccccc1N.... |
14 | 5AE9 | Ki = 0.0794 nM | OKO | C24 H28 N6 O5 S | C[C@@H]1CN.... |
15 | 5AE8 | Ki = 0.126 nM | VVX | C26 H28 N6 O | CC(C)N1CCN.... |
16 | 6Q73 | - | HKK | C11 H13 Cl N2 O3 S | CS(=O)(=O).... |
17 | 5T2I | ic50 = 2 nM | 74J | C20 H19 N9 O | Cn1c(nc(n1.... |
18 | 2WXG | ic50 = 0.7 nM | ZZN | C28 H22 F N7 O2 | Cc1ccccc1N.... |
19 | 5NCY | ic50 = 0.4 nM | 8TK | C21 H18 N6 O S | CC1=CSC2=C.... |
20 | 6Q6Y | - | HKQ | C17 H13 Cl N2 O2 S | c1ccc(cc1).... |
21 | 6ZAD | - | QDW | C18 H22 N4 O4 S | CN1CCS(=O).... |
22 | 6EZ6 | - | C5Z | C26 H30 N6 O4 | CC(C)N1CCN.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 2 families. | |||||
1 | 2WXP | ic50 = 3 nM | GD9 | C23 H27 N7 O3 S2 | CS(=O)(=O).... |
2 | 2WXL | ic50 = 4.6 nM | ZS4 | C19 H21 F2 N7 O2 | c1ccc2c(c1.... |
3 | 6TNR | ic50 = 0.00000001 M | NQ2 | C25 H35 N3 O6 S | CC(C)(C1CC.... |
4 | 2WXO | ic50 = 90 nM | ZZP | C22 H19 F N4 O4 S | COC1=CC(=C.... |
5 | 6Q74 | - | HKN | C22 H24 N4 O4 S | Cc1nc(cn1C.... |
6 | 5T2B | ic50 = 5 nM | 74O | C19 H18 N8 | Cn1c(nc(n1.... |
7 | 2WXF | ic50 = 180 nM | 039 | C21 H15 Cl N6 O2 S | COc1ccccc1.... |
8 | 6ZAC | - | QDE | C18 H24 N4 O4 S | CN(C)Cc1cc.... |
9 | 6FTN | ic50 = 200 nM | E78 | C20 H23 N3 O2 S | Cc1cc(cc2c.... |
10 | 6TNS | ic50 = 0.00000001 M | NQ5 | C25 H33 N3 O8 S | COCCS(=O)(.... |
11 | 5NCZ | ic50 = 0.79 nM | 8TN | C24 H25 N7 O S | CC1=CSC2=C.... |
12 | 4XE0 | ic50 = 19 nM | 40L | C22 H18 F N7 O | CC[C@@H](C.... |
13 | 2X38 | ic50 = 130 nM | IC8 | C22 H19 N7 O | Cc1ccccc1N.... |
14 | 5AE9 | Ki = 0.0794 nM | OKO | C24 H28 N6 O5 S | C[C@@H]1CN.... |
15 | 5AE8 | Ki = 0.126 nM | VVX | C26 H28 N6 O | CC(C)N1CCN.... |
16 | 6Q73 | - | HKK | C11 H13 Cl N2 O3 S | CS(=O)(=O).... |
17 | 5T2I | ic50 = 2 nM | 74J | C20 H19 N9 O | Cn1c(nc(n1.... |
18 | 2WXG | ic50 = 0.7 nM | ZZN | C28 H22 F N7 O2 | Cc1ccccc1N.... |
19 | 5NCY | ic50 = 0.4 nM | 8TK | C21 H18 N6 O S | CC1=CSC2=C.... |
20 | 6Q6Y | - | HKQ | C17 H13 Cl N2 O2 S | c1ccc(cc1).... |
21 | 6ZAD | - | QDW | C18 H22 N4 O4 S | CN1CCS(=O).... |
22 | 4FUL | - | 0VU | C22 H23 N5 O3 S | c1cc(cc(c1.... |
23 | 4ANW | ic50 = 18 nM | O92 | C18 H14 Cl F2 N5 O3 S | CNC(=O)c1c.... |
24 | 4WWP | ic50 = 0.12 uM | 3VE | C22 H18 Cl N7 | Cc1c(cccn1.... |
25 | 6AUD | - | BWY | C25 H34 N6 O2 S | CC(C)n1c(n.... |
26 | 4ANV | ic50 = 441 nM | 751 | C28 H28 N4 O4 S | COc1ccc(cc.... |
27 | 5JHB | Kd = 873 nM | 6K5 | C18 H21 Cl F3 N7 O2 | c1c(c(cnc1.... |
28 | 5G55 | - | 3QH | C20 H18 N4 O | Cc1ccc(cc1.... |
29 | 1E7V | - | LY2 | C19 H17 N O3 | c1ccc(cc1).... |
30 | 2CHX | - | 090 | C18 H16 N5 O3 | COc1ccc2c(.... |
31 | 4WWO | ic50 = 0.038 uM | 3VD | C22 H16 Cl F N6 | C[C@@H](c1.... |
32 | 1E8Z | - | STU | C28 H26 N4 O3 | C[C@@]12[C.... |
33 | 3R7Q | ic50 = 0.108 uM | FAV | C19 H14 Cl N O2 S | CN(c1ccccc.... |
34 | 4GB9 | - | 0WR | C28 H39 N9 O2 | CC(C)(C1CC.... |
35 | 3ENE | Ki = 0.57 uM | NPZ | C16 H13 N5 | Cn1c2c(c(n.... |
36 | 3LJ3 | ic50 = 43 nM | WYE | C22 H22 N4 O4 | Cn1cc(c2c1.... |
37 | 2V4L | ic50 = 1.5 uM | ABJ | C14 H15 N5 O | CC(C)n1c2c.... |
38 | 6C1S | Ki = 0.004 uM | EFV | C19 H16 N6 O3 | COc1cc(cnc.... |
39 | 4HVB | - | 19P | C24 H26 N6 O3 | Cc1ccc(cn1.... |
40 | 1E8W | - | QUE | C15 H10 O7 | c1cc(c(cc1.... |
41 | 1E8X | - | ATP | C10 H16 N5 O13 P3 | c1nc(c2c(n.... |
42 | 3ZVV | ic50 = 915 uM | XAZ | C8 H10 N4 | Cc1cc(n2c(.... |
43 | 6EZ6 | - | C5Z | C26 H30 N6 O4 | CC(C)N1CCN.... |
44 | 6PYS | - | P5J | C27 H22 N6 O | Cc1ncc(cn1.... |
45 | 5UBR | - | 85S | C26 H30 N8 O2 | CC(=O)N1CC.... |
46 | 5DXT | Ki = 0.2 nM | 5H5 | C19 H22 N6 O3 | C[C@@H](C(.... |
47 | 6GVF | Ki = 28 nM | FE5 | C15 H15 N7 O | CC(C)n1c2c.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | HKQ | 1 | 1 |
This union binding pocket(no: 1) in the query (biounit: 5ae9.bio1) has 45 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 6I3U | H2E | 33.8211 |