- 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 1 families. | |||||
1 | 5FBB | - | AMP | C10 H14 N5 O7 P | c1nc(c2c(n.... |
2 | 5FBC | - | AS | C10 H14 N5 O5 P S | c1nc(c2c(n.... |
3 | 5FBF | - | DCM | C9 H14 N3 O7 P | C1[C@@H]([.... |
4 | 5FBD | - | DCZ | C9 H13 N3 O4 | C1[C@@H]([.... |
5 | 5FBG | - | GNG | C10 H13 N5 O4 | c1nc2c(n1[.... |
6 | 1AK0 | - | ADS THS THS THS | n/a | n/a |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | ADS THS THS THS | 1 | 1 |
2 | DU DU DU DU BRU DA DU | 0.564626 | 0.863636 |
3 | T5A | 0.55303 | 0.863636 |
4 | 4TA | 0.552239 | 0.895349 |
5 | PAX | 0.517483 | 0.873563 |
6 | 101 | 0.495495 | 0.767442 |
7 | DT MA7 DT | 0.48 | 0.863636 |
8 | TMP | 0.477477 | 0.767442 |
9 | O5W | 0.475524 | 0.886364 |
10 | 3DR DT DT DT DT DT | 0.458647 | 0.811765 |
11 | THP | 0.45614 | 0.755814 |
12 | Z5A | 0.446667 | 0.844444 |
13 | TYD | 0.444444 | 0.758621 |
14 | CPA | 0.442857 | 0.850575 |
15 | TTP | 0.429752 | 0.758621 |
16 | T3P | 0.428571 | 0.755814 |
17 | DA | 0.42735 | 0.767442 |
18 | D5M | 0.42735 | 0.767442 |
19 | TTP MG | 0.42623 | 0.797619 |
20 | AS | 0.423729 | 0.813953 |
21 | DT ME6 DT | 0.422535 | 0.804598 |
22 | 9RC | 0.418605 | 0.752688 |
23 | DAT | 0.414634 | 0.770115 |
24 | DAU | 0.406015 | 0.772727 |
25 | THM | 0.40367 | 0.738095 |
26 | LLT | 0.40367 | 0.738095 |
27 | 3YN | 0.402985 | 0.772727 |
28 | TBD | 0.401639 | 0.752809 |
29 | DTP | 0.401575 | 0.770115 |
30 | TLO | 0.4 | 0.781609 |
No: | Ligand | Similarity coefficient |
---|
This union binding pocket(no: 1) in the query (biounit: 1ak0.bio1) has 13 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |