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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 1331 families. | |||||
1 | 5DDE | ic50 = 65 nM | 5A0 | C17 H21 F2 N5 S2 | CC1(CN=C(S.... |
2 | 4OG4 | Kd = 952 nM | 2VK | C27 H34 N2 O2 | c1ccc(cc1).... |
3 | 4OG5 | ic50 = 302 nM | 2S7 | C26 H33 N3 O2 | c1ccnc(c1).... |
4 | 5DDB | ic50 = 82 nM | 59Q | C15 H13 F5 N6 S2 | c1c(sc2c1c.... |
5 | 5DB3 | ic50 = 12 nM | 58Q | C29 H29 F3 N8 O S | Cc1c2cc(n(.... |
6 | 5DDC | ic50 = 92 nM | 59V | C15 H12 F6 N6 S2 | c1c(sc2c1c.... |
7 | 4OG3 | Kd = 285 nM | 2S6 | C27 H34 N2 O2 | c1ccc(cc1).... |
8 | 5DB1 | ic50 = 22 nM | 58O | C24 H23 F3 N6 O S | COc1cc2c(c.... |
9 | 4OG8 | ic50 = 56 nM | 2SF | C27 H35 N3 O | c1ccc(cc1).... |
10 | 4X5Y | Kd = 9.3 nM | 3XW | C28 H27 F3 N8 S | Cc1c(ccc2c.... |
11 | 5DB2 | ic50 = 25 nM | 58R | C25 H24 F3 N7 O S | c1cc2c(cc1.... |
12 | 5DDA | ic50 = 1653 nM | 59M | C15 H14 F4 N6 S2 | c1c(sc2c1c.... |
13 | 5DDF | ic50 = 674 nM | 5A1 | C17 H18 F5 N5 S2 | CC1(CN=C(S.... |
14 | 4OG6 | ic50 = 197 nM | 2S9 | C27 H33 F N2 O2 | c1cc(cc(c1.... |
15 | 5DD9 | ic50 = 779 nM | 59K | C15 H15 F3 N6 S2 | Cc1nnc(s1).... |
16 | 4X5Z | Kd = 23.6 nM | 3XY | C23 H21 F3 N6 S | c1cc2c(cc1.... |
17 | 4OG7 | ic50 = 114 nM | 2SE | C25 H35 N3 O4 S | c1ccnc(c1).... |
18 | 6PKC | - | OP4 | C32 H47 F N6 O4 S | CC(C)N(C(C.... |
19 | 5DB0 | ic50 = 42 nM | 6E6 | C26 H27 F3 N6 O2 S | c1cc2c(cc1.... |
20 | 6O5I | Ki = 0.51 mM | LMY | C32 H35 F3 N8 O S | Cc1c(ccc2c.... |
21 | 5DDD | ic50 = 260 nM | 59X | C17 H22 F N5 S2 | CC1(CN=C(S.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 1144 families. | |||||
1 | 5DDE | ic50 = 65 nM | 5A0 | C17 H21 F2 N5 S2 | CC1(CN=C(S.... |
2 | 4OG4 | Kd = 952 nM | 2VK | C27 H34 N2 O2 | c1ccc(cc1).... |
3 | 4OG5 | ic50 = 302 nM | 2S7 | C26 H33 N3 O2 | c1ccnc(c1).... |
4 | 5DDB | ic50 = 82 nM | 59Q | C15 H13 F5 N6 S2 | c1c(sc2c1c.... |
5 | 5DB3 | ic50 = 12 nM | 58Q | C29 H29 F3 N8 O S | Cc1c2cc(n(.... |
6 | 5DDC | ic50 = 92 nM | 59V | C15 H12 F6 N6 S2 | c1c(sc2c1c.... |
7 | 4OG3 | Kd = 285 nM | 2S6 | C27 H34 N2 O2 | c1ccc(cc1).... |
8 | 5DB1 | ic50 = 22 nM | 58O | C24 H23 F3 N6 O S | COc1cc2c(c.... |
9 | 4OG8 | ic50 = 56 nM | 2SF | C27 H35 N3 O | c1ccc(cc1).... |
10 | 4X5Y | Kd = 9.3 nM | 3XW | C28 H27 F3 N8 S | Cc1c(ccc2c.... |
11 | 5DB2 | ic50 = 25 nM | 58R | C25 H24 F3 N7 O S | c1cc2c(cc1.... |
12 | 5DDA | ic50 = 1653 nM | 59M | C15 H14 F4 N6 S2 | c1c(sc2c1c.... |
13 | 5DDF | ic50 = 674 nM | 5A1 | C17 H18 F5 N5 S2 | CC1(CN=C(S.... |
14 | 4OG6 | ic50 = 197 nM | 2S9 | C27 H33 F N2 O2 | c1cc(cc(c1.... |
15 | 5DD9 | ic50 = 779 nM | 59K | C15 H15 F3 N6 S2 | Cc1nnc(s1).... |
16 | 4X5Z | Kd = 23.6 nM | 3XY | C23 H21 F3 N6 S | c1cc2c(cc1.... |
17 | 4OG7 | ic50 = 114 nM | 2SE | C25 H35 N3 O4 S | c1ccnc(c1).... |
18 | 6PKC | - | OP4 | C32 H47 F N6 O4 S | CC(C)N(C(C.... |
19 | 5DB0 | ic50 = 42 nM | 6E6 | C26 H27 F3 N6 O2 S | c1cc2c(cc1.... |
20 | 6O5I | Ki = 0.51 mM | LMY | C32 H35 F3 N8 O S | Cc1c(ccc2c.... |
21 | 5DDD | ic50 = 260 nM | 59X | C17 H22 F N5 S2 | CC1(CN=C(S.... |
This union binding pocket(no: 1) in the query (biounit: 4x5y.bio1) has 24 residues | |||
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No: | Leader PDB | Ligand | Sequence Similarity |