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- Structure Biounit | Ligand Information
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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 266 families. | |||||
1 | 1IPB | - | GTA | C21 H30 N10 O17 P3 | C[n+]1cn(c.... |
2 | 1IPC | - | MGP | C11 H19 N5 O14 P3 | C[n+]1cn(c.... |
3 | 5OSX | ic50 = 0.285 uM | AKW | C21 H30 N10 O16 P3 S2 | C[n+]1cn(c.... |
4 | 1L8B | Kd = 0.14 uM | MGP | C11 H19 N5 O14 P3 | C[n+]1cn(c.... |
5 | 5J5Y | Ka = 82.8 M^-1 | 6G6 | C13 H21 Cl2 N5 O16 P4 | C[n+]1cn(c.... |
6 | 4TPW | Kd = 20.5 uM | 33R | C18 H12 Cl2 N4 O4 S | c1ccc(c(c1.... |
7 | 4TQB | - | MGT | C11 H20 N5 O14 P3 | CN1CN(C2=C.... |
8 | 1EJ1 | - | M7G | C11 H19 N5 O11 P2 | CN1CN(C2=C.... |
9 | 4TQC | - | M7G | C11 H19 N5 O11 P2 | CN1CN(C2=C.... |
10 | 5J5O | Ka = 102.8 M^-1 | 6G0 | C11 H20 N5 O17 P4 | C[n+]1cn(c.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 220 families. | |||||
1 | 1IPB | - | GTA | C21 H30 N10 O17 P3 | C[n+]1cn(c.... |
2 | 1IPC | - | MGP | C11 H19 N5 O14 P3 | C[n+]1cn(c.... |
3 | 2WMC | - | MGP | C11 H19 N5 O14 P3 | C[n+]1cn(c.... |
4 | 5OSX | ic50 = 0.285 uM | AKW | C21 H30 N10 O16 P3 S2 | C[n+]1cn(c.... |
5 | 1L8B | Kd = 0.14 uM | MGP | C11 H19 N5 O14 P3 | C[n+]1cn(c.... |
6 | 5J5Y | Ka = 82.8 M^-1 | 6G6 | C13 H21 Cl2 N5 O16 P4 | C[n+]1cn(c.... |
7 | 4TPW | Kd = 20.5 uM | 33R | C18 H12 Cl2 N4 O4 S | c1ccc(c(c1.... |
8 | 4TQB | - | MGT | C11 H20 N5 O14 P3 | CN1CN(C2=C.... |
9 | 1EJ1 | - | M7G | C11 H19 N5 O11 P2 | CN1CN(C2=C.... |
10 | 4TQC | - | M7G | C11 H19 N5 O11 P2 | CN1CN(C2=C.... |
11 | 5J5O | Ka = 102.8 M^-1 | 6G0 | C11 H20 N5 O17 P4 | C[n+]1cn(c.... |
12 | 2IDV | - | M7G | C11 H19 N5 O11 P2 | CN1CN(C2=C.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | M7G | 1 | 1 |
2 | MGT | 0.910256 | 1 |
3 | M7M | 0.541667 | 0.963855 |
4 | G8D | 0.537634 | 0.914634 |
5 | TPG | 0.525 | 0.920455 |
6 | 8GT | 0.494845 | 0.914634 |
7 | CDP | 0.43617 | 0.829268 |
8 | UDP | 0.430108 | 0.780488 |
9 | M7G A2M G | 0.42953 | 0.88764 |
10 | 8GM | 0.412371 | 0.902439 |
11 | 8OD | 0.411765 | 0.77907 |
12 | 8GD | 0.407767 | 0.872093 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | ADP | 0.9527 |
2 | GDP | 0.9411 |
3 | ADP MG | 0.9264 |
4 | 7DD | 0.9218 |
5 | DAT | 0.9211 |
6 | MGO | 0.9132 |
7 | DGI | 0.9119 |
8 | AP2 | 0.9114 |
9 | KG4 | 0.9110 |
10 | GDP BEF | 0.9094 |
11 | GDP MG | 0.9094 |
12 | MGP | 0.9078 |
13 | AN2 | 0.9051 |
14 | TYD | 0.9023 |
15 | A12 | 0.9022 |
16 | GP2 | 0.9019 |
17 | M33 | 0.8967 |
18 | ADX | 0.8959 |
19 | G7M | 0.8950 |
20 | IDP | 0.8945 |
21 | O02 | 0.8923 |
22 | CA0 | 0.8922 |
23 | GNH | 0.8921 |
24 | CUU | 0.8884 |
25 | G | 0.8859 |
26 | 5GP | 0.8859 |
27 | PRX | 0.8856 |
28 | KB7 | 0.8844 |
29 | XMP | 0.8832 |
30 | SAH | 0.8830 |
31 | GAP | 0.8824 |
32 | WSA | 0.8810 |
33 | A5A | 0.8810 |
34 | ATP | 0.8804 |
35 | GJV | 0.8789 |
36 | ANP | 0.8756 |
37 | SAM | 0.8755 |
38 | 9ZD | 0.8740 |
39 | IMU | 0.8738 |
40 | AMP | 0.8735 |
41 | 5AS | 0.8718 |
42 | IMP | 0.8716 |
43 | 7D3 | 0.8710 |
44 | 2A5 | 0.8698 |
45 | DGP | 0.8681 |
46 | ADP AF3 | 0.8679 |
47 | AU1 | 0.8668 |
48 | DG | 0.8667 |
49 | GPX | 0.8658 |
50 | 6CG | 0.8638 |
51 | 6AD | 0.8632 |
52 | EEM | 0.8588 |
53 | AGS | 0.8576 |
54 | 8DG | 0.8565 |
55 | ACP | 0.8562 |
This union binding pocket(no: 1) in the query (biounit: 1l8b.bio1) has 18 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 1l8b.bio2) has 12 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |