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No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 6 families. | |||||
1 | 3T3R | Ki = 101 uM | 9PL | C11 H16 N2 O2 | CC[C@H]1[C.... |
2 | 2FDY | - | D4G | C10 H8 N2 S2 | c1cnccc1SS.... |
3 | 2FDV | Ki = 800 nM | D2G | C11 H12 N2 O | CNCc1ccc(o.... |
4 | 4EJH | Kd = 4.4 uM | 0QA | C10 H13 N3 O2 | CN(CCCC(=O.... |
5 | 3EBS | Kd = 21 uM | N4E | C10 H13 N O2 | CCOc1ccc(c.... |
6 | 1Z10 | Kd = 0.27 uM | COU | C9 H6 O2 | c1ccc2c(c1.... |
7 | 4EJI | Kd = 4.4 uM | 0QA | C10 H13 N3 O2 | CN(CCCC(=O.... |
8 | 2FDU | Ki = 14200 nM | D1G | C12 H14 N2 O | CN(C)Cc1cc.... |
9 | 2FDW | Ki = 130 nM | D3G | C10 H10 N2 O | c1cc(cnc1).... |
10 | 2P85 | - | IND | C8 H7 N | c1ccc2c(c1.... |
11 | 1Z11 | Kd = 1.9 uM | 8MO | C12 H8 O4 | COc1c2c(cc.... |
12 | 4EJJ | Kd = 470 uM | NCT | C10 H14 N2 | C[N@@]1CCC.... |
13 | 4EJG | - | NCT | C10 H14 N2 | C[N@@]1CCC.... |
14 | 3T3Q | Ki = 49 uM | 9PL | C11 H16 N2 O2 | CC[C@H]1[C.... |
15 | 5E58 | Kd = 2.3 uM | CPZ | C9 H7 Cl N2 | c1cc(ccc1c.... |
16 | 1NR6 | Kd ~ 50 uM | DIF | C14 H11 Cl2 N O2 | c1ccc(c(c1.... |
17 | 1N6B | Kd = 20 uM | DMZ | C17 H17 N3 O2 S | Cc1ccc(cc1.... |
18 | 4RRT | Kd = 1.82 uM | 3V4 | C10 H16 | CC1=CC[C@H.... |
19 | 4ZV8 | - | TMH | C10 H16 | CC1=CC[C@@.... |
20 | 5UEC | - | 85D | C10 H15 Br | CC1([C@@H].... |
21 | 3IBD | - | CPZ | C9 H7 Cl N2 | c1cc(ccc1c.... |
22 | 5UAP | - | 82S | C10 H17 Br | C[C@@]12CC.... |
23 | 4RQL | Kd = 0.08 uM | SNE | C10 H16 | CC(C)[C@@].... |
24 | 4I91 | Kd = 0.22 uM | TMH | C10 H16 | CC1=CC[C@@.... |
25 | 5UFG | - | 85D | C10 H15 Br | CC1([C@@H].... |
26 | 3QOA | Kd = 0.21 uM | 3QO | C12 H11 N | c1ccc(cc1).... |
27 | 5UDA | - | CAE | C10 H18 | CC1(C2CCC1.... |
28 | 2NNJ | Ki = 90 nM | 225 | C18 H19 Cl2 N O4 | CCOC(=O)C1.... |
29 | 3G5N | ic50 = 0.035 uM | PB2 | C16 H14 N2 | c1ccc(cc1).... |
30 | 3TMZ | ic50 = 2 uM | 06X | C20 H25 Cl N2 O5 | CCOC(=O)C1.... |
31 | 2BDM | ic50 = 0.9 uM | TMI | C22 H18 N2 | c1ccc(cc1).... |
32 | 4JLT | Kd = 0.7 uM | 8PR | C19 H20 F N O3 | c1cc(ccc1[.... |
33 | 4MGJ | - | CPZ | C9 H7 Cl N2 | c1cc(ccc1c.... |
34 | 1SUO | ic50 = 0.04 uM | CPZ | C9 H7 Cl N2 | c1cc(ccc1c.... |
35 | 5W0C | - | 9W6 | C15 H12 N4 O4 S2 | CCOC(=O)NC.... |
36 | 4NZ2 | Kd = 2 uM | 2QJ | C16 H12 Br Cl F3 N O4 S | C[C@@](C(=.... |
37 | 5X24 | - | LSN | C22 H23 Cl N6 O | CCCCc1nc(c.... |
38 | 5X23 | - | LSN | C22 H23 Cl N6 O | CCCCc1nc(c.... |
39 | 1R9O | - | FLP | C15 H13 F O2 | C[C@@H](c1.... |
40 | 5XXI | - | LSN | C22 H23 Cl N6 O | CCCCc1nc(c.... |
41 | 5K7K | ic50 = 36 nM | 6RJ | C19 H12 Cl N5 O3 S2 | c1cc(c(cc1.... |
42 | 3T3Z | Ki = 765 uM | 9PL | C11 H16 N2 O2 | CC[C@H]1[C.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 5 families. | |||||
1 | 3T3R | Ki = 101 uM | 9PL | C11 H16 N2 O2 | CC[C@H]1[C.... |
2 | 2FDY | - | D4G | C10 H8 N2 S2 | c1cnccc1SS.... |
3 | 2FDV | Ki = 800 nM | D2G | C11 H12 N2 O | CNCc1ccc(o.... |
4 | 4EJH | Kd = 4.4 uM | 0QA | C10 H13 N3 O2 | CN(CCCC(=O.... |
5 | 3EBS | Kd = 21 uM | N4E | C10 H13 N O2 | CCOc1ccc(c.... |
6 | 1Z10 | Kd = 0.27 uM | COU | C9 H6 O2 | c1ccc2c(c1.... |
7 | 4EJI | Kd = 4.4 uM | 0QA | C10 H13 N3 O2 | CN(CCCC(=O.... |
8 | 2FDU | Ki = 14200 nM | D1G | C12 H14 N2 O | CN(C)Cc1cc.... |
9 | 2FDW | Ki = 130 nM | D3G | C10 H10 N2 O | c1cc(cnc1).... |
10 | 2P85 | - | IND | C8 H7 N | c1ccc2c(c1.... |
11 | 1Z11 | Kd = 1.9 uM | 8MO | C12 H8 O4 | COc1c2c(cc.... |
12 | 4EJJ | Kd = 470 uM | NCT | C10 H14 N2 | C[N@@]1CCC.... |
13 | 4EJG | - | NCT | C10 H14 N2 | C[N@@]1CCC.... |
14 | 3T3Q | Ki = 49 uM | 9PL | C11 H16 N2 O2 | CC[C@H]1[C.... |
15 | 5E58 | Kd = 2.3 uM | CPZ | C9 H7 Cl N2 | c1cc(ccc1c.... |
16 | 1NR6 | Kd ~ 50 uM | DIF | C14 H11 Cl2 N O2 | c1ccc(c(c1.... |
17 | 1N6B | Kd = 20 uM | DMZ | C17 H17 N3 O2 S | Cc1ccc(cc1.... |
18 | 4RRT | Kd = 1.82 uM | 3V4 | C10 H16 | CC1=CC[C@H.... |
19 | 4ZV8 | - | TMH | C10 H16 | CC1=CC[C@@.... |
20 | 5UEC | - | 85D | C10 H15 Br | CC1([C@@H].... |
21 | 3IBD | - | CPZ | C9 H7 Cl N2 | c1cc(ccc1c.... |
22 | 5UAP | - | 82S | C10 H17 Br | C[C@@]12CC.... |
23 | 4RQL | Kd = 0.08 uM | SNE | C10 H16 | CC(C)[C@@].... |
24 | 4I91 | Kd = 0.22 uM | TMH | C10 H16 | CC1=CC[C@@.... |
25 | 5UFG | - | 85D | C10 H15 Br | CC1([C@@H].... |
26 | 3QOA | Kd = 0.21 uM | 3QO | C12 H11 N | c1ccc(cc1).... |
27 | 5UDA | - | CAE | C10 H18 | CC1(C2CCC1.... |
28 | 2NNJ | Ki = 90 nM | 225 | C18 H19 Cl2 N O4 | CCOC(=O)C1.... |
29 | 4XRZ | ic50 = 0.37 uM | SI6 | C16 H16 F2 N4 O S | c1cc(c(cc1.... |
30 | 4WNU | - | QDN | C20 H24 N2 O2 | COc1ccc2c(.... |
31 | 4WNV | - | QI9 | C20 H24 N2 O2 | COc1ccc2c(.... |
32 | 4XRY | ic50 = 13.9 uM | SI5 | C17 H18 F2 N4 O S | Cn1cc(cn1).... |
33 | 3G5N | ic50 = 0.035 uM | PB2 | C16 H14 N2 | c1ccc(cc1).... |
34 | 3TMZ | ic50 = 2 uM | 06X | C20 H25 Cl N2 O5 | CCOC(=O)C1.... |
35 | 2BDM | ic50 = 0.9 uM | TMI | C22 H18 N2 | c1ccc(cc1).... |
36 | 4JLT | Kd = 0.7 uM | 8PR | C19 H20 F N O3 | c1cc(ccc1[.... |
37 | 4MGJ | - | CPZ | C9 H7 Cl N2 | c1cc(ccc1c.... |
38 | 1SUO | ic50 = 0.04 uM | CPZ | C9 H7 Cl N2 | c1cc(ccc1c.... |
39 | 5W0C | - | 9W6 | C15 H12 N4 O4 S2 | CCOC(=O)NC.... |
40 | 4NZ2 | Kd = 2 uM | 2QJ | C16 H12 Br Cl F3 N O4 S | C[C@@](C(=.... |
41 | 5X24 | - | LSN | C22 H23 Cl N6 O | CCCCc1nc(c.... |
42 | 5X23 | - | LSN | C22 H23 Cl N6 O | CCCCc1nc(c.... |
43 | 1R9O | - | FLP | C15 H13 F O2 | C[C@@H](c1.... |
44 | 5XXI | - | LSN | C22 H23 Cl N6 O | CCCCc1nc(c.... |
45 | 5K7K | ic50 = 36 nM | 6RJ | C19 H12 Cl N5 O3 S2 | c1cc(c(cc1.... |
46 | 3T3Z | Ki = 765 uM | 9PL | C11 H16 N2 O2 | CC[C@H]1[C.... |
No: | Ligand | Similarity coefficient |
---|
This union binding pocket(no: 1) in the query (biounit: 4rql.bio2) has 13 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 4rql.bio1) has 15 residues | |||
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No: | Leader PDB | Ligand | Sequence Similarity |