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- 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 | 4GM1 | - | TZD | C12 H18 N4 O8 P2 S | Cc1ncc(c(n.... |
2 | 1YNO | - | TZD | C12 H18 N4 O8 P2 S | Cc1ncc(c(n.... |
3 | 4GM0 | - | TZD | C12 H18 N4 O8 P2 S | Cc1ncc(c(n.... |
4 | 4GG1 | - | TZD | C12 H18 N4 O8 P2 S | Cc1ncc(c(n.... |
5 | 3FZN | - | D7K | C20 H28 N4 O11 P3 S | Cc1c(sc([n.... |
6 | 4GPE | - | TZD | C12 H18 N4 O8 P2 S | Cc1ncc(c(n.... |
7 | 4MQ5 | - | TPP | C12 H19 N4 O7 P2 S | Cc1c(sc[n+.... |
8 | 1PI3 | - | TZD | C12 H18 N4 O8 P2 S | Cc1ncc(c(n.... |
9 | 1BFD | - | TPP | C12 H19 N4 O7 P2 S | Cc1c(sc[n+.... |
10 | 2FWN | - | TDP | C12 H18 N4 O7 P2 S | Cc1c(sc[n+.... |
11 | 1PO7 | - | TZD | C12 H18 N4 O8 P2 S | Cc1ncc(c(n.... |
12 | 3F6B | - | 8PA | C20 H26 N5 O8 P2 S | Cc1c(sc([n.... |
13 | 4JD5 | - | TZD | C12 H18 N4 O8 P2 S | Cc1ncc(c(n.... |
14 | 3FSJ | Kd = 0.113 mM | D7K | C20 H28 N4 O11 P3 S | Cc1c(sc([n.... |
15 | 4GP9 | - | TZD | C12 H18 N4 O8 P2 S | Cc1ncc(c(n.... |
16 | 4GM4 | - | TZD | C12 H18 N4 O8 P2 S | Cc1ncc(c(n.... |
17 | 3F6E | - | 8PA | C20 H26 N5 O8 P2 S | Cc1c(sc([n.... |
18 | 4MPR | - | TPP | C12 H19 N4 O7 P2 S | Cc1c(sc[n+.... |
19 | 1Q6Z | - | TZD | C12 H18 N4 O8 P2 S | Cc1ncc(c(n.... |
20 | 6QSI | - | 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 1 families. | |||||
1 | 4GM1 | - | TZD | C12 H18 N4 O8 P2 S | Cc1ncc(c(n.... |
2 | 1YNO | - | TZD | C12 H18 N4 O8 P2 S | Cc1ncc(c(n.... |
3 | 4GM0 | - | TZD | C12 H18 N4 O8 P2 S | Cc1ncc(c(n.... |
4 | 4GG1 | - | TZD | C12 H18 N4 O8 P2 S | Cc1ncc(c(n.... |
5 | 3FZN | - | D7K | C20 H28 N4 O11 P3 S | Cc1c(sc([n.... |
6 | 4GPE | - | TZD | C12 H18 N4 O8 P2 S | Cc1ncc(c(n.... |
7 | 4MQ5 | - | TPP | C12 H19 N4 O7 P2 S | Cc1c(sc[n+.... |
8 | 1PI3 | - | TZD | C12 H18 N4 O8 P2 S | Cc1ncc(c(n.... |
9 | 1BFD | - | TPP | C12 H19 N4 O7 P2 S | Cc1c(sc[n+.... |
10 | 2FWN | - | TDP | C12 H18 N4 O7 P2 S | Cc1c(sc[n+.... |
11 | 1PO7 | - | TZD | C12 H18 N4 O8 P2 S | Cc1ncc(c(n.... |
12 | 3F6B | - | 8PA | C20 H26 N5 O8 P2 S | Cc1c(sc([n.... |
13 | 4JD5 | - | TZD | C12 H18 N4 O8 P2 S | Cc1ncc(c(n.... |
14 | 3FSJ | Kd = 0.113 mM | D7K | C20 H28 N4 O11 P3 S | Cc1c(sc([n.... |
15 | 4GP9 | - | TZD | C12 H18 N4 O8 P2 S | Cc1ncc(c(n.... |
16 | 4GM4 | - | TZD | C12 H18 N4 O8 P2 S | Cc1ncc(c(n.... |
17 | 3F6E | - | 8PA | C20 H26 N5 O8 P2 S | Cc1c(sc([n.... |
18 | 4MPR | - | TPP | C12 H19 N4 O7 P2 S | Cc1c(sc[n+.... |
19 | 1Q6Z | - | TZD | C12 H18 N4 O8 P2 S | Cc1ncc(c(n.... |
20 | 6QSI | - | TPP | C12 H19 N4 O7 P2 S | Cc1c(sc[n+.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | D7K | 1 | 1 |
2 | TDK | 0.7 | 0.987013 |
3 | AUJ | 0.67 | 0.961538 |
4 | TDL | 0.640777 | 0.9375 |
5 | T5X | 0.59292 | 0.9375 |
6 | T6F | 0.59292 | 0.9375 |
7 | THW | 0.592593 | 0.948052 |
8 | THY | 0.570093 | 0.911392 |
9 | HTL | 0.567308 | 0.923077 |
10 | THV | 0.566038 | 0.923077 |
11 | O2T | 0.559633 | 0.949367 |
12 | TDW | 0.552381 | 0.935065 |
13 | WWF | 0.546296 | 0.9 |
14 | TOG | 0.526786 | 0.888889 |
15 | TD6 | 0.517544 | 0.888889 |
16 | TD9 | 0.508621 | 0.888889 |
17 | TD8 | 0.508621 | 0.888889 |
18 | 8PA | 0.495935 | 0.935897 |
19 | 5SR | 0.490909 | 0.886076 |
20 | TPP | 0.490566 | 0.909091 |
21 | PYI | 0.462963 | 0.831169 |
22 | V4E | 0.459459 | 0.909091 |
23 | TDP DX5 | 0.436508 | 0.9125 |
24 | TPW | 0.435185 | 0.818182 |
25 | 1Y7 TDP | 0.423077 | 0.9125 |
26 | 1U0 | 0.422414 | 0.835443 |
27 | S1T | 0.421053 | 0.831169 |
28 | R1T | 0.421053 | 0.831169 |
29 | TDP | 0.415929 | 0.896104 |
30 | TPU | 0.4 | 0.792683 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | QSP | 0.8729 |
This union binding pocket(no: 1) in the query (biounit: 3fsj.bio1) has 33 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 3fsj.bio1) has 33 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 3) in the query (biounit: 3fsj.bio1) has 33 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 4) in the query (biounit: 3fsj.bio1) has 33 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |