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No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 10 families. | |||||
1 | 1WQ4 | - | TYR | C9 H11 N O3 | c1cc(ccc1C.... |
2 | 2YXN | - | AZY | C9 H10 N4 O3 | c1cc(c(cc1.... |
3 | 1WQ3 | - | IYR | C9 H10 I N O3 | c1cc(c(cc1.... |
4 | 1X8X | - | TYR | C9 H11 N O3 | c1cc(ccc1C.... |
5 | 6HB7 | - | Y3U | C19 H24 N4 O10 S | CN1C(=O)C=.... |
6 | 6HB6 | - | YSU | C18 H22 N4 O10 S | c1cc(ccc1C.... |
7 | 6HB5 | - | YSC | C18 H23 N5 O9 S | c1cc(ccc1C.... |
8 | 7AP3 | - | RRB | C22 H27 N5 O9 S | c1cc(ccc1C.... |
9 | 6I5Y | - | YSA | C19 H23 N7 O8 S | c1cc(ccc1C.... |
10 | 1TYB | - | TYR | C9 H11 N O3 | c1cc(ccc1C.... |
11 | 4TS1 | Kd = 11.6 uM | TYR | C9 H11 N O3 | c1cc(ccc1C.... |
12 | 1TYD | - | TYR | C9 H11 N O3 | c1cc(ccc1C.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 4 families. | |||||
1 | 1WQ4 | - | TYR | C9 H11 N O3 | c1cc(ccc1C.... |
2 | 2YXN | - | AZY | C9 H10 N4 O3 | c1cc(c(cc1.... |
3 | 1WQ3 | - | IYR | C9 H10 I N O3 | c1cc(c(cc1.... |
4 | 1X8X | - | TYR | C9 H11 N O3 | c1cc(ccc1C.... |
5 | 1Y42 | - | TYR | C9 H11 N O3 | c1cc(ccc1C.... |
6 | 6HB7 | - | Y3U | C19 H24 N4 O10 S | CN1C(=O)C=.... |
7 | 6HB6 | - | YSU | C18 H22 N4 O10 S | c1cc(ccc1C.... |
8 | 6HB5 | - | YSC | C18 H23 N5 O9 S | c1cc(ccc1C.... |
9 | 7AP3 | - | RRB | C22 H27 N5 O9 S | c1cc(ccc1C.... |
10 | 6I5Y | - | YSA | C19 H23 N7 O8 S | c1cc(ccc1C.... |
11 | 1JIL | ic50 = 4 nM | 485 | C17 H24 N2 O8 | C[C@@H]1[C.... |
12 | 2PID | - | YSA | C19 H23 N7 O8 S | c1cc(ccc1C.... |
13 | 1TYB | - | TYR | C9 H11 N O3 | c1cc(ccc1C.... |
14 | 4TS1 | Kd = 11.6 uM | TYR | C9 H11 N O3 | c1cc(ccc1C.... |
15 | 1TYD | - | TYR | C9 H11 N O3 | c1cc(ccc1C.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | YSC | 1 | 1 |
2 | FZQ | 0.738636 | 0.941176 |
3 | HQ5 | 0.706522 | 0.91954 |
4 | YSU | 0.697917 | 0.963855 |
5 | Y3U | 0.673469 | 0.941176 |
6 | C | 0.5 | 0.776471 |
7 | CAR | 0.5 | 0.776471 |
8 | C5P | 0.5 | 0.776471 |
9 | FZK | 0.490196 | 0.905882 |
10 | YSA | 0.482456 | 0.886364 |
11 | FZT | 0.480769 | 0.885057 |
12 | RRB | 0.478632 | 0.853933 |
13 | LSU | 0.471698 | 0.885057 |
14 | CDP | 0.469388 | 0.767442 |
15 | CDP MG | 0.469388 | 0.764706 |
16 | L3U | 0.46729 | 0.875 |
17 | HF4 | 0.455446 | 0.767442 |
18 | CTP | 0.455446 | 0.767442 |
19 | CTN | 0.454545 | 0.694118 |
20 | AR3 | 0.454545 | 0.694118 |
21 | C2G | 0.45283 | 0.77907 |
22 | 7XL | 0.451923 | 0.770115 |
23 | I5A | 0.449438 | 0.682353 |
24 | 2TM | 0.446602 | 0.761364 |
25 | 0RC | 0.438095 | 0.772727 |
26 | CDM | 0.432432 | 0.736264 |
27 | C5G | 0.428571 | 0.770115 |
28 | PMT | 0.427419 | 0.723404 |
29 | A7R | 0.425 | 0.781609 |
30 | 1AA | 0.420168 | 0.764045 |
31 | CXY | 0.412281 | 0.790698 |
32 | CDC | 0.410714 | 0.705263 |
33 | CDP RB0 | 0.408696 | 0.75 |
34 | NVG | 0.405172 | 0.695652 |
35 | V12 | 0.4 | 0.711111 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | TYR AMP | 0.9093 |
This union binding pocket(no: 1) in the query (biounit: 6hb5.bio1) has 28 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 6hb5.bio1) has 27 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |