- 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 5 families. | |||||
1 | 1NGS | - | E4P | C4 H9 O7 P | C([C@H]([C.... |
2 | 1TKB | Kd = 0.000000064 M | N1T | C13 H19 N3 O7 P2 S | Cc1ccc(c(n.... |
3 | 1TRK | - | TPP | C12 H19 N4 O7 P2 S | Cc1c(sc[n+.... |
4 | 1GPU | - | THD | C14 H22 N4 O9 P2 S | Cc1ncc(c(n.... |
5 | 5HYV | - | TPP | C12 H19 N4 O7 P2 S | Cc1c(sc[n+.... |
6 | 5XSA | - | 8EL | C12 H20 N4 O7 P2 S | Cc1ncc(c(n.... |
7 | 5I5E | - | 5SP | C5 H11 O8 P | C([C@H]([C.... |
8 | 5XU9 | - | 8N9 | C14 H22 N4 O9 P2 S | Cc1ncc(c(n.... |
9 | 5XRV | - | F6R | C6 H13 O9 P | C([C@H]([C.... |
10 | 5XS6 | - | TPP | C12 H19 N4 O7 P2 S | Cc1c(sc[n+.... |
11 | 5XSB | - | 8EL | C12 H20 N4 O7 P2 S | Cc1ncc(c(n.... |
12 | 5XSM | - | 8EO | C12 H21 N4 O7 P2 S | Cc1ncc(c(n.... |
13 | 5XUF | - | 8FL | C12 H20 N4 O8 P2 S | Cc1ncc(c(n.... |
14 | 5XVT | - | 8FL | C12 H20 N4 O8 P2 S | Cc1ncc(c(n.... |
15 | 5XTV | - | 8EF | C12 H20 N4 O7 P2 S | Cc1ncc(c(n.... |
16 | 5XQK | - | T5X | C17 H30 N4 O15 P3 S | Cc1c(sc([n.... |
17 | 5XPS | - | TPP | C12 H19 N4 O7 P2 S | Cc1c(sc[n+.... |
18 | 5I51 | - | TPP | C12 H19 N4 O7 P2 S | Cc1c(sc[n+.... |
19 | 5XU2 | - | F6R | C6 H13 O9 P | C([C@H]([C.... |
20 | 5XT4 | - | T6F | C18 H32 N4 O16 P3 S | Cc1c(sc([n.... |
21 | 5XTX | - | 8ML | C18 H33 N4 O16 P3 S | Cc1ncc(c(n.... |
22 | 5XT0 | - | T6F | C18 H32 N4 O16 P3 S | Cc1c(sc([n.... |
23 | 5XQA | - | TPP | C12 H19 N4 O7 P2 S | Cc1c(sc[n+.... |
24 | 5XTL | - | 8GF | C5 H7 N3 | Cc1nccc(n1.... |
25 | 5HJE | - | TPP | C12 H19 N4 O7 P2 S | Cc1c(sc[n+.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 2 families. | |||||
1 | 1R9J | - | TPP | C12 H19 N4 O7 P2 S | Cc1c(sc[n+.... |
2 | 1NGS | - | E4P | C4 H9 O7 P | C([C@H]([C.... |
3 | 1TKB | Kd = 0.000000064 M | N1T | C13 H19 N3 O7 P2 S | Cc1ccc(c(n.... |
4 | 1TRK | - | TPP | C12 H19 N4 O7 P2 S | Cc1c(sc[n+.... |
5 | 1GPU | - | THD | C14 H22 N4 O9 P2 S | Cc1ncc(c(n.... |
6 | 5HYV | - | TPP | C12 H19 N4 O7 P2 S | Cc1c(sc[n+.... |
7 | 5XSA | - | 8EL | C12 H20 N4 O7 P2 S | Cc1ncc(c(n.... |
8 | 5I5E | - | 5SP | C5 H11 O8 P | C([C@H]([C.... |
9 | 5XU9 | - | 8N9 | C14 H22 N4 O9 P2 S | Cc1ncc(c(n.... |
10 | 5XRV | - | F6R | C6 H13 O9 P | C([C@H]([C.... |
11 | 5XS6 | - | TPP | C12 H19 N4 O7 P2 S | Cc1c(sc[n+.... |
12 | 5XSB | - | 8EL | C12 H20 N4 O7 P2 S | Cc1ncc(c(n.... |
13 | 5XSM | - | 8EO | C12 H21 N4 O7 P2 S | Cc1ncc(c(n.... |
14 | 5XUF | - | 8FL | C12 H20 N4 O8 P2 S | Cc1ncc(c(n.... |
15 | 5XVT | - | 8FL | C12 H20 N4 O8 P2 S | Cc1ncc(c(n.... |
16 | 5XTV | - | 8EF | C12 H20 N4 O7 P2 S | Cc1ncc(c(n.... |
17 | 5XQK | - | T5X | C17 H30 N4 O15 P3 S | Cc1c(sc([n.... |
18 | 5XPS | - | TPP | C12 H19 N4 O7 P2 S | Cc1c(sc[n+.... |
19 | 5I51 | - | TPP | C12 H19 N4 O7 P2 S | Cc1c(sc[n+.... |
20 | 5XU2 | - | F6R | C6 H13 O9 P | C([C@H]([C.... |
21 | 5XT4 | - | T6F | C18 H32 N4 O16 P3 S | Cc1c(sc([n.... |
22 | 5XTX | - | 8ML | C18 H33 N4 O16 P3 S | Cc1ncc(c(n.... |
23 | 5XT0 | - | T6F | C18 H32 N4 O16 P3 S | Cc1c(sc([n.... |
24 | 5XQA | - | TPP | C12 H19 N4 O7 P2 S | Cc1c(sc[n+.... |
25 | 5XTL | - | 8GF | C5 H7 N3 | Cc1nccc(n1.... |
26 | 5HJE | - | TPP | C12 H19 N4 O7 P2 S | Cc1c(sc[n+.... |
27 | 5ND5 | - | TPP | C12 H19 N4 O7 P2 S | Cc1c(sc[n+.... |
28 | 6TJ8 | - | NDQ | C12 H19 N4 O8 P2 S | Cc1c(sc[n+.... |
29 | 6TJ9 | - | 5SP | C5 H11 O8 P | C([C@H]([C.... |
30 | 1QGD | - | TPP | C12 H19 N4 O7 P2 S | Cc1c(sc[n+.... |
31 | 2R5N | Kd = 700 uM | R5P | C5 H11 O8 P | C(C(C(C(C=.... |
32 | 2R8O | - | T5X | C17 H30 N4 O15 P3 S | Cc1c(sc([n.... |
33 | 2R8P | - | T6F | C18 H32 N4 O16 P3 S | Cc1c(sc([n.... |
34 | 5HHT | - | TDP | C12 H18 N4 O7 P2 S | Cc1c(sc[n+.... |
35 | 1ITZ | - | TPP | C12 H19 N4 O7 P2 S | Cc1c(sc[n+.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | T6F | 1 | 1 |
2 | T5X | 0.875 | 1 |
3 | 1Y7 TDP | 0.666667 | 0.974359 |
4 | AUJ | 0.653465 | 0.949367 |
5 | TDL | 0.640777 | 0.95 |
6 | TDK | 0.634615 | 0.949367 |
7 | TDP DX5 | 0.630631 | 0.974359 |
8 | D7K | 0.59292 | 0.9375 |
9 | TDW | 0.582524 | 0.923077 |
10 | THV | 0.580952 | 0.911392 |
11 | WWF | 0.575472 | 0.9125 |
12 | O2T | 0.574074 | 0.9375 |
13 | HTL | 0.567308 | 0.911392 |
14 | TD6 | 0.544643 | 0.901235 |
15 | THY | 0.541284 | 0.9 |
16 | TD9 | 0.535088 | 0.901235 |
17 | TD8 | 0.535088 | 0.901235 |
18 | TOG | 0.513274 | 0.901235 |
19 | THW | 0.508772 | 0.911392 |
20 | 8PA | 0.508197 | 0.9 |
21 | 5SR | 0.477477 | 0.875 |
22 | TPP | 0.476636 | 0.897436 |
23 | 1U0 | 0.447368 | 0.871795 |
24 | V4E | 0.446429 | 0.897436 |
25 | PYI | 0.436364 | 0.797468 |
26 | TPW | 0.435185 | 0.807692 |
27 | S1T | 0.433628 | 0.820513 |
28 | R1T | 0.433628 | 0.820513 |
29 | S6P TDP | 0.433071 | 0.869048 |
30 | 8ML | 0.433071 | 0.869048 |
31 | 8EO | 0.40708 | 0.831325 |
32 | TDP | 0.403509 | 0.884615 |
No: | Ligand | Similarity coefficient |
---|
This union binding pocket(no: 1) in the query (biounit: 5xu2.bio1) has 35 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 5xu2.bio1) has 35 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 3) in the query (biounit: 5xu2.bio1) has 35 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 4) in the query (biounit: 5xu2.bio1) has 35 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 5) in the query (biounit: 5xu2.bio1) has 35 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 6) in the query (biounit: 5xu2.bio1) has 35 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |