- 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 2 families. | |||||
1 | 3E8R | - | INN | C19 H37 N5 O5 | CC(C)C[C@H.... |
2 | 3EWJ | Ki = 143 nM | 642 | C29 H24 N2 O4 | c1ccc(cc1).... |
3 | 2FV5 | Ki ~ 0.033 nM | 541 | C25 H27 N3 O4 | Cc1cc(c2cc.... |
4 | 1ZXC | ic50 = 8 nM | IH6 | C17 H22 N2 O5 S2 | CC#CCOc1cc.... |
5 | 3KME | Ki = 725 nM | Z59 | C19 H22 N2 O4 S | c1ccc(cc1).... |
6 | 2A8H | ic50 = 67 nM | 4NH | C17 H23 N3 O5 S2 | CC1([C@@H].... |
7 | 2FV9 | ic50 = 60 nM | 002 | C23 H35 N3 O6 | CC[C@H](C).... |
8 | 3L0T | - | Z94 | C11 H11 N3 O3 | CC(=O)Nc1c.... |
9 | 3LEA | Ki = 0.8 nM | Z93 | C24 H19 N4 O4 | COc1ccc2c(.... |
10 | 3LGP | Ki = 2 nM | 50X | C28 H26 Cl F3 N4 O4 S | c1ccc2c(c1.... |
11 | 2I47 | ic50 = 2.2 nM | KGY | C22 H27 N3 O8 S2 | CC#CCOc1cc.... |
12 | 3B92 | Ki = 10 nM | 440 | C13 H16 O3 S2 | CC#CCOc1cc.... |
13 | 3KMC | Ki = 400 nM | 403 | C20 H24 Cl N3 O4 S | c1ccc(c(c1.... |
14 | 3LE9 | Ki = 6 nM | 727 | C18 H16 N4 O4 | COc1ccc2c(.... |
15 | 3G42 | ic50 = 0.14 uM | 792 | C22 H22 N2 O5 S | CC#CCOc1cc.... |
16 | 3EDZ | - | INN | C19 H37 N5 O5 | CC(C)C[C@H.... |
17 | 2DDF | ic50 = 41 nM | INN | C19 H37 N5 O5 | CC(C)C[C@H.... |
18 | 2OI0 | Ki = 28 nM | 283 | C14 H17 N O3 S2 | CC#CCOc1cc.... |
19 | 3L0V | Ki = 23 nM | 724 | C13 H14 N4 O4 | C[C@]1(C(=.... |
20 | 3O64 | Ki = 0.4 nM | 786 | C24 H30 N6 O6 S2 | C[C@H](c1c.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 2 families. | |||||
1 | 3E8R | - | INN | C19 H37 N5 O5 | CC(C)C[C@H.... |
2 | 3EWJ | Ki = 143 nM | 642 | C29 H24 N2 O4 | c1ccc(cc1).... |
3 | 2FV5 | Ki ~ 0.033 nM | 541 | C25 H27 N3 O4 | Cc1cc(c2cc.... |
4 | 1ZXC | ic50 = 8 nM | IH6 | C17 H22 N2 O5 S2 | CC#CCOc1cc.... |
5 | 3KME | Ki = 725 nM | Z59 | C19 H22 N2 O4 S | c1ccc(cc1).... |
6 | 2A8H | ic50 = 67 nM | 4NH | C17 H23 N3 O5 S2 | CC1([C@@H].... |
7 | 2FV9 | ic50 = 60 nM | 002 | C23 H35 N3 O6 | CC[C@H](C).... |
8 | 3L0T | - | Z94 | C11 H11 N3 O3 | CC(=O)Nc1c.... |
9 | 3LEA | Ki = 0.8 nM | Z93 | C24 H19 N4 O4 | COc1ccc2c(.... |
10 | 3LGP | Ki = 2 nM | 50X | C28 H26 Cl F3 N4 O4 S | c1ccc2c(c1.... |
11 | 2I47 | ic50 = 2.2 nM | KGY | C22 H27 N3 O8 S2 | CC#CCOc1cc.... |
12 | 3B92 | Ki = 10 nM | 440 | C13 H16 O3 S2 | CC#CCOc1cc.... |
13 | 3KMC | Ki = 400 nM | 403 | C20 H24 Cl N3 O4 S | c1ccc(c(c1.... |
14 | 3LE9 | Ki = 6 nM | 727 | C18 H16 N4 O4 | COc1ccc2c(.... |
15 | 3G42 | ic50 = 0.14 uM | 792 | C22 H22 N2 O5 S | CC#CCOc1cc.... |
16 | 3EDZ | - | INN | C19 H37 N5 O5 | CC(C)C[C@H.... |
17 | 2DDF | ic50 = 41 nM | INN | C19 H37 N5 O5 | CC(C)C[C@H.... |
18 | 2OI0 | Ki = 28 nM | 283 | C14 H17 N O3 S2 | CC#CCOc1cc.... |
19 | 3L0V | Ki = 23 nM | 724 | C13 H14 N4 O4 | C[C@]1(C(=.... |
20 | 3O64 | Ki = 0.4 nM | 786 | C24 H30 N6 O6 S2 | C[C@H](c1c.... |
No: | Ligand | Similarity coefficient |
---|
This union binding pocket(no: 1) in the query (biounit: 2fv5.bio2) has 31 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 1YP1 | LYS ASN LEU | 15.3465 |
2 | 3Q2H | QHF | 37.931 |
3 | 4DD8 | BAT | 42.3077 |
This union binding pocket(no: 2) in the query (biounit: 2fv5.bio1) has 30 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 1FBL | HTA | 7.27969 |
2 | 1RM8 | BAT | 8.28402 |
3 | 1YP1 | LYS ASN LEU | 15.3465 |
4 | 1R55 | 097 | 23.8318 |
5 | 2W14 | WR2 | 35.1485 |
6 | 4WKI | 3PW | 35.249 |
7 | 3Q2H | QHF | 37.931 |
8 | 3Q2H | QHF | 37.931 |
9 | 4DD8 | BAT | 42.3077 |
10 | 4DD8 | BAT | 42.3077 |
11 | 4DD8 | BAT | 42.3077 |
12 | 3HY9 | 098 | 43.4389 |