- 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 261 families. | |||||
1 | 3LIT | - | E15 | C35 H51 N5 O5 S | C[C@H](C(C.... |
2 | 3WSJ | Ki = 35 uM | MK1 | C36 H47 N5 O4 | CC(C)(C)NC.... |
3 | 3LIQ | - | E14 | C34 H49 N5 O5 S | CC(C)CNC(=.... |
4 | 3LIN | - | E13 | C37 H53 N5 O7 S | CC1([C@H](.... |
5 | 3LIY | - | ACE ALA PRO GLN VAL STA VAL MET HIS PRO | n/a | n/a |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 214 families. | |||||
1 | 3LIT | - | E15 | C35 H51 N5 O5 S | C[C@H](C(C.... |
2 | 3WSJ | Ki = 35 uM | MK1 | C36 H47 N5 O4 | CC(C)(C)NC.... |
3 | 3LIQ | - | E14 | C34 H49 N5 O5 S | CC(C)CNC(=.... |
4 | 3LIN | - | E13 | C37 H53 N5 O7 S | CC1([C@H](.... |
5 | 3LIY | - | ACE ALA PRO GLN VAL STA VAL MET HIS PRO | n/a | n/a |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | E15 | 1 | 1 |
2 | E14 | 0.803922 | 0.969697 |
3 | E13 | 0.615385 | 0.887324 |
4 | K57 | 0.470588 | 0.940298 |
5 | K95 | 0.462687 | 0.863014 |
6 | 8V9 | 0.449275 | 0.851351 |
7 | 8VO | 0.446809 | 0.864865 |
8 | JE2 | 0.440945 | 0.926471 |
9 | KNJ | 0.434109 | 0.810127 |
10 | JZQ | 0.433824 | 0.818182 |
11 | JZP | 0.426471 | 0.818182 |
12 | 006 | 0.426471 | 0.863014 |
13 | 8VF | 0.412162 | 0.810127 |
14 | 8VC | 0.410959 | 0.807692 |
15 | 8Z0 | 0.407895 | 0.807692 |
No: | Ligand | Similarity coefficient |
---|
This union binding pocket(no: 1) in the query (biounit: 3wsj.bio1) has 32 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 3KA2 | 2NC | 17.2414 |
2 | 4YHQ | G10 | 18.1818 |
3 | 2O4N | TPV | 19.1919 |
4 | 3GGU | 017 | 20.202 |
5 | 3U7S | 017 | 20.202 |
6 | 3MWS | 017 | 20.202 |
7 | 3U7S | 017 | 20.202 |
8 | 2FXD | DR7 | 20.202 |
9 | 6C8X | BVR | 20.202 |
10 | 3S43 | 478 | 20.202 |
11 | 2P3B | 3TL | 20.202 |
12 | 3HBO | 2NC | 20.202 |
13 | 3HBO | 2NC | 20.202 |
14 | 1BDQ | IM1 | 20.202 |
15 | 2AZC | 3TL | 20.202 |
16 | 2AZC | 3TL | 20.202 |
17 | 2P3C | 3TL | 20.202 |
18 | 1IDA | 0PO | 30.303 |
This union binding pocket(no: 2) in the query (biounit: 3wsj.bio2) has 32 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 3KA2 | 2NC | 17.2414 |
2 | 4YHQ | G10 | 18.1818 |
3 | 2O4N | TPV | 19.1919 |
4 | 6P9B | 478 | 19.1919 |
5 | 3GGU | 017 | 20.202 |
6 | 3U7S | 017 | 20.202 |
7 | 3MWS | 017 | 20.202 |
8 | 3U7S | 017 | 20.202 |
9 | 2FXD | DR7 | 20.202 |
10 | 3S43 | 478 | 20.202 |
11 | 2P3B | 3TL | 20.202 |
12 | 3HBO | 2NC | 20.202 |
13 | 3HBO | 2NC | 20.202 |
14 | 1BDQ | IM1 | 20.202 |
15 | 2AZC | 3TL | 20.202 |
16 | 2AZC | 3TL | 20.202 |
17 | 1IDA | 0PO | 30.303 |
This union binding pocket(no: 3) in the query (biounit: 3wsj.bio2) has 32 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 4) in the query (biounit: 3wsj.bio2) has 32 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |