- Navigate
- Expand All | Collapse All
- Receptor | Ligand | View in 3D
- Family: 90% | 70% | 50% | site
- External Links
- |
- Download
- 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 | 6UDI | ic50 = 0.3 nM | Q4S | C36 H47 Cl N4 O7 S | CN1CC/C=C/.... |
2 | 6OQB | Ki = 0.00004 uM | N0J | C32 H39 Cl N2 O5 S | CC[C@@H]1C.... |
3 | 6QZ5 | - | JLE | C25 H22 N4 O2 S | CCc1c(c2c(.... |
4 | 6QYP | - | JL5 | C29 H31 Cl N4 O4 S | CCc1c(c2c(.... |
5 | 6O6F | ic50 = 0.04 uM | LOD | C23 H24 Cl N O3 | c1cc2c(cc1.... |
6 | 6QZ6 | - | JLE | C25 H22 N4 O2 S | CCc1c(c2c(.... |
7 | 6UDX | ic50 = 10 nM | Q57 | C25 H28 Cl N O4 | c1cc2c(cc1.... |
8 | 5IF4 | Ki < 1 nM | 6AK | C39 H39 Cl2 N5 O4 | Cc1cc(cc(c.... |
9 | 6U65 | Ki = 0.77 uM | Q0A | C26 H28 F N3 O4 S2 | c1ccc(cc1).... |
10 | 6O6G | ic50 = 0.3 uM | LOJ | C21 H21 Cl2 N O3 | c1cc2c(cc1.... |
11 | 6B4U | Ki = 21 nM | CN7 | C35 H36 N2 O4 | Cc1ccccc1c.... |
12 | 4WMR | - | 865 | C37 H36 N6 O4 | Cc1ccnc(c1.... |
13 | 6OQD | Ki = 0.00014 uM | N0M | C31 H39 Cl N2 O5 S | C[C@@H]1CC.... |
14 | 6UDT | ic50 = 0.6 nM | Q4V | C33 H39 Cl N2 O6 | CN1CC/C=C/.... |
15 | 6UD2 | ic50 = 0.3 nM | Q4D | C40 H52 Cl F2 N5 O7 S | CN1CC/C=C/.... |
16 | 4OQ6 | ic50 = 3.3 uM | 2UV | C16 H16 O3 | CCCc1ccc(c.... |
17 | 6NE5 | Ki = 0.058 nM | KJP | C39 H39 Cl2 N5 O4 | Cc1cc(cc(c.... |
18 | 6UDY | ic50 = 27 nM | Q54 | C24 H26 Cl N O3 | c1cc2c(cc1.... |
19 | 3WIY | ic50 = 0.61 uM | LC6 | C47 H46 N6 O8 S2 | Cc1cc(ccc1.... |
20 | 5VKC | - | 9EA | C46 H46 N6 O5 | Cc1c(c(nn1.... |
21 | 6QZ8 | - | JL8 | C24 H21 Cl N2 O4 S | CCc1c(c2c(.... |
22 | 6P3P | ic50 = 0.145 uM | NQJ | C23 H20 Cl F3 N2 O5 S2 | Cc1cc(sc1S.... |
23 | 6U67 | Ki = 0.95 uM | Q01 | C30 H36 N4 O5 S2 | CC(C)(C)c1.... |
24 | 5FC4 | Ki = 231 nM | 5WL | C23 H21 Cl N2 O4 S | CS(=O)(=O).... |
25 | 6QFQ | - | J3E | C27 H25 N3 O3 | Cc1c(c(n[n.... |
26 | 6OQC | Ki = 0.00005 uM | N0S | C31 H37 Cl N2 O5 S | C[C@@H]1CC.... |
27 | 6YBG | Ki = 13 nM | OJT | C36 H36 Cl2 N4 O5 S | Cc1c(ccc(c.... |
28 | 6OQN | ic50 = 0.01 uM | N0P | C26 H31 Cl N2 O5 S | c1cc2c3cc1.... |
29 | 6FS1 | Kd = 0.098 uM | E4Q | C34 H35 N5 O3 S | Cc1cc(nn1C.... |
30 | 3WIX | ic50 = 0.54 uM | LC3 | C28 H22 N2 O5 | c1ccc2c(c1.... |
31 | 6B4L | Ki = 0.34 uM | CJY | C22 H19 N O3 | c1ccc2c(c1.... |
32 | 4HW3 | Ki = 0.32 uM | 19G | C20 H19 Cl O3 S | Cc1cc(cc(c.... |
33 | 5KU9 | ic50 = 1.49 uM | 6XJ | C33 H36 Br Cl2 N5 O4 | CNC(=O)C[C.... |
34 | 4ZBI | Ki = 0.31 uM | 4M6 | C25 H23 N O3 | c1ccc2c(c1.... |
35 | 6UDU | ic50 = 1.7 nM | Q4Y | C30 H35 Cl N2 O5 | CN1C/C=C/C.... |
36 | 6UDV | Ki = 0.051 nM | Q51 | C32 H39 Cl N2 O5 S | C[C@H]1C/C.... |
37 | 6QZB | - | JLK | C24 H23 N3 O2 S | CCc1c(c2c(.... |
38 | 4ZBF | Ki = 0.074 uM | 4M7 | C25 H23 N O4 S | c1ccc2c(c1.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 1144 families. | |||||
1 | 6UDI | ic50 = 0.3 nM | Q4S | C36 H47 Cl N4 O7 S | CN1CC/C=C/.... |
2 | 6OQB | Ki = 0.00004 uM | N0J | C32 H39 Cl N2 O5 S | CC[C@@H]1C.... |
3 | 6QZ5 | - | JLE | C25 H22 N4 O2 S | CCc1c(c2c(.... |
4 | 6QYP | - | JL5 | C29 H31 Cl N4 O4 S | CCc1c(c2c(.... |
5 | 6O6F | ic50 = 0.04 uM | LOD | C23 H24 Cl N O3 | c1cc2c(cc1.... |
6 | 6QZ6 | - | JLE | C25 H22 N4 O2 S | CCc1c(c2c(.... |
7 | 6UDX | ic50 = 10 nM | Q57 | C25 H28 Cl N O4 | c1cc2c(cc1.... |
8 | 5IF4 | Ki < 1 nM | 6AK | C39 H39 Cl2 N5 O4 | Cc1cc(cc(c.... |
9 | 6U65 | Ki = 0.77 uM | Q0A | C26 H28 F N3 O4 S2 | c1ccc(cc1).... |
10 | 6O6G | ic50 = 0.3 uM | LOJ | C21 H21 Cl2 N O3 | c1cc2c(cc1.... |
11 | 6B4U | Ki = 21 nM | CN7 | C35 H36 N2 O4 | Cc1ccccc1c.... |
12 | 4WMR | - | 865 | C37 H36 N6 O4 | Cc1ccnc(c1.... |
13 | 6OQD | Ki = 0.00014 uM | N0M | C31 H39 Cl N2 O5 S | C[C@@H]1CC.... |
14 | 6UDT | ic50 = 0.6 nM | Q4V | C33 H39 Cl N2 O6 | CN1CC/C=C/.... |
15 | 6UD2 | ic50 = 0.3 nM | Q4D | C40 H52 Cl F2 N5 O7 S | CN1CC/C=C/.... |
16 | 4OQ6 | ic50 = 3.3 uM | 2UV | C16 H16 O3 | CCCc1ccc(c.... |
17 | 6NE5 | Ki = 0.058 nM | KJP | C39 H39 Cl2 N5 O4 | Cc1cc(cc(c.... |
18 | 6UDY | ic50 = 27 nM | Q54 | C24 H26 Cl N O3 | c1cc2c(cc1.... |
19 | 3WIY | ic50 = 0.61 uM | LC6 | C47 H46 N6 O8 S2 | Cc1cc(ccc1.... |
20 | 5VKC | - | 9EA | C46 H46 N6 O5 | Cc1c(c(nn1.... |
21 | 6QZ8 | - | JL8 | C24 H21 Cl N2 O4 S | CCc1c(c2c(.... |
22 | 6P3P | ic50 = 0.145 uM | NQJ | C23 H20 Cl F3 N2 O5 S2 | Cc1cc(sc1S.... |
23 | 6U67 | Ki = 0.95 uM | Q01 | C30 H36 N4 O5 S2 | CC(C)(C)c1.... |
24 | 5FC4 | Ki = 231 nM | 5WL | C23 H21 Cl N2 O4 S | CS(=O)(=O).... |
25 | 6QFQ | - | J3E | C27 H25 N3 O3 | Cc1c(c(n[n.... |
26 | 6OQC | Ki = 0.00005 uM | N0S | C31 H37 Cl N2 O5 S | C[C@@H]1CC.... |
27 | 6YBG | Ki = 13 nM | OJT | C36 H36 Cl2 N4 O5 S | Cc1c(ccc(c.... |
28 | 6OQN | ic50 = 0.01 uM | N0P | C26 H31 Cl N2 O5 S | c1cc2c3cc1.... |
29 | 6FS1 | Kd = 0.098 uM | E4Q | C34 H35 N5 O3 S | Cc1cc(nn1C.... |
30 | 3WIX | ic50 = 0.54 uM | LC3 | C28 H22 N2 O5 | c1ccc2c(c1.... |
31 | 6B4L | Ki = 0.34 uM | CJY | C22 H19 N O3 | c1ccc2c(c1.... |
32 | 4HW3 | Ki = 0.32 uM | 19G | C20 H19 Cl O3 S | Cc1cc(cc(c.... |
33 | 5KU9 | ic50 = 1.49 uM | 6XJ | C33 H36 Br Cl2 N5 O4 | CNC(=O)C[C.... |
34 | 4ZBI | Ki = 0.31 uM | 4M6 | C25 H23 N O3 | c1ccc2c(c1.... |
35 | 6UDU | ic50 = 1.7 nM | Q4Y | C30 H35 Cl N2 O5 | CN1C/C=C/C.... |
36 | 6UDV | Ki = 0.051 nM | Q51 | C32 H39 Cl N2 O5 S | C[C@H]1C/C.... |
37 | 6QZB | - | JLK | C24 H23 N3 O2 S | CCc1c(c2c(.... |
38 | 4ZBF | Ki = 0.074 uM | 4M7 | C25 H23 N O4 S | c1ccc2c(c1.... |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | HVN | 0.9140 |
This union binding pocket(no: 1) in the query (biounit: 6oqb.bio2) has 42 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 6oqb.bio2) has 42 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 3) in the query (biounit: 6oqb.bio1) has 42 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |