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- Structure Biounit | Ligand Information
- PDB : .ZIP | .CSV
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- 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 | 8PA | 1 | 1 |
2 | TDW | 0.653465 | 0.972973 |
3 | WWF | 0.628571 | 0.935065 |
4 | TD6 | 0.609091 | 0.923077 |
5 | TD9 | 0.598214 | 0.923077 |
6 | TD8 | 0.598214 | 0.923077 |
7 | HTL | 0.560748 | 0.96 |
8 | AUJ | 0.554545 | 0.923077 |
9 | THV | 0.531532 | 0.96 |
10 | THY | 0.522124 | 0.947368 |
11 | TOG | 0.521739 | 0.923077 |
12 | TDL | 0.517544 | 0.9 |
13 | THW | 0.517241 | 0.986486 |
14 | T6F | 0.508197 | 0.9 |
15 | TDK | 0.5 | 0.923077 |
16 | 5SR | 0.5 | 0.921053 |
17 | D7K | 0.495935 | 0.935897 |
18 | T5X | 0.483871 | 0.9 |
19 | TPP | 0.459459 | 0.945946 |
20 | O2T | 0.45 | 0.911392 |
21 | PYI | 0.446429 | 0.864865 |
22 | S1T | 0.443478 | 0.864865 |
23 | R1T | 0.443478 | 0.864865 |
24 | TPW | 0.432432 | 0.851351 |
25 | 1U0 | 0.432203 | 0.820513 |
26 | V4E | 0.431034 | 0.945946 |
No: | Ligand | Similarity coefficient |
---|
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 |