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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 | 8FL | 1 | 1 |
2 | QSP | 0.648936 | 0.855422 |
3 | TZD | 0.638554 | 0.986667 |
4 | ZP1 | 0.616162 | 0.845238 |
5 | 8EL | 0.586207 | 0.922078 |
6 | TDM | 0.58427 | 0.922078 |
7 | TDN | 0.565217 | 0.898734 |
8 | THD | 0.55914 | 0.865854 |
9 | 8N9 | 0.55914 | 0.865854 |
10 | TD7 | 0.546392 | 0.876543 |
11 | 8EF | 0.478723 | 0.860759 |
12 | TPU | 0.461538 | 0.777778 |
13 | PYI | 0.457447 | 0.792208 |
14 | TPP | 0.457447 | 0.894737 |
15 | TPW | 0.456522 | 0.826667 |
16 | 1TP | 0.45098 | 0.829268 |
17 | 8ML | 0.4375 | 0.8 |
18 | G8G | 0.43617 | 0.881579 |
19 | TDW | 0.434343 | 0.871795 |
20 | AUJ | 0.431373 | 0.829268 |
21 | THY | 0.427184 | 0.85 |
22 | R1T | 0.424242 | 0.815789 |
23 | S1T | 0.424242 | 0.815789 |
24 | V4E | 0.424242 | 0.894737 |
25 | TDL | 0.423077 | 0.809524 |
26 | 8EO | 0.42268 | 0.85 |
27 | HTD | 0.42 | 0.894737 |
28 | HTL | 0.42 | 0.860759 |
29 | TDK | 0.419048 | 0.829268 |
30 | WWF | 0.417476 | 0.839506 |
31 | TOG | 0.415094 | 0.829268 |
32 | 1U0 | 0.411765 | 0.775 |
33 | THV | 0.407767 | 0.860759 |
34 | TD6 | 0.407407 | 0.829268 |
35 | MP5 | 0.402597 | 0.64 |
36 | TD8 | 0.4 | 0.829268 |
37 | TD9 | 0.4 | 0.829268 |
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 |