- 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 | 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 | TZD | 1 | 1 |
2 | TDM | 0.716049 | 0.910256 |
3 | TDN | 0.690476 | 0.8875 |
4 | THD | 0.682353 | 0.855422 |
5 | 8N9 | 0.682353 | 0.855422 |
6 | TD7 | 0.644444 | 0.888889 |
7 | 8FL | 0.638554 | 0.986667 |
8 | 8EL | 0.638554 | 0.910256 |
9 | QSP | 0.53 | 0.86747 |
10 | ZP1 | 0.490566 | 0.857143 |
11 | 8EF | 0.48913 | 0.85 |
12 | TPU | 0.47191 | 0.768293 |
13 | TPW | 0.466667 | 0.815789 |
14 | PYI | 0.451613 | 0.782051 |
15 | TPP | 0.451613 | 0.883117 |
16 | THY | 0.435644 | 0.839506 |
17 | S1T | 0.43299 | 0.805195 |
18 | R1T | 0.43299 | 0.805195 |
19 | 1TP | 0.431373 | 0.841463 |
20 | G8G | 0.430108 | 0.894737 |
21 | HTL | 0.428571 | 0.873418 |
22 | TDW | 0.428571 | 0.860759 |
23 | 1U0 | 0.42 | 0.765432 |
24 | 8EO | 0.416667 | 0.839506 |
25 | THV | 0.415842 | 0.85 |
26 | MP5 | 0.413333 | 0.631579 |
27 | AUJ | 0.411765 | 0.819277 |
28 | WWF | 0.411765 | 0.829268 |
29 | TOG | 0.409524 | 0.841463 |
30 | V4E | 0.40404 | 0.883117 |
31 | TDL | 0.403846 | 0.821429 |
32 | TDK | 0.4 | 0.819277 |
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 |