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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 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 | AKW | 1 | 1 |
2 | GTG | 0.52459 | 0.951219 |
3 | GP3 | 0.522523 | 0.914634 |
4 | AJQ | 0.515385 | 1 |
5 | 5GP | 0.513761 | 0.878049 |
6 | G | 0.513761 | 0.878049 |
7 | GNH | 0.513274 | 0.879518 |
8 | GCP | 0.513043 | 0.869048 |
9 | GDP | 0.504425 | 0.890244 |
10 | GP2 | 0.504425 | 0.858824 |
11 | GTP | 0.504348 | 0.890244 |
12 | GSP | 0.495726 | 0.915663 |
13 | GMP | 0.495146 | 0.783133 |
14 | GAV | 0.487395 | 0.926829 |
15 | G1R | 0.487179 | 0.879518 |
16 | 9GM | 0.483051 | 0.869048 |
17 | GNP | 0.483051 | 0.869048 |
18 | G2P | 0.483051 | 0.858824 |
19 | GDP 7MG | 0.480315 | 0.926829 |
20 | Y9Z | 0.48 | 0.831461 |
21 | GMV | 0.478632 | 0.869048 |
22 | GDP BEF | 0.474576 | 0.857143 |
23 | YGP | 0.472 | 0.850575 |
24 | ALF 5GP | 0.466102 | 0.818182 |
25 | JB2 | 0.465116 | 0.903614 |
26 | GFB | 0.464567 | 0.903614 |
27 | GDR | 0.464567 | 0.903614 |
28 | G2R | 0.463415 | 0.858824 |
29 | G3A | 0.460938 | 0.914634 |
30 | GTP MG | 0.458333 | 0.878049 |
31 | G5P | 0.457364 | 0.914634 |
32 | GDD | 0.456693 | 0.880952 |
33 | GDC | 0.456693 | 0.880952 |
34 | GKE | 0.456693 | 0.880952 |
35 | 3GP | 0.455357 | 0.843373 |
36 | GKD | 0.453846 | 0.880952 |
37 | GPD | 0.450382 | 0.872093 |
38 | 6CK | 0.449612 | 0.860465 |
39 | KB7 | 0.449153 | 0.761364 |
40 | GPG | 0.448 | 0.903614 |
41 | GDP ALF | 0.443548 | 0.818182 |
42 | GDP AF3 | 0.443548 | 0.818182 |
43 | GDX | 0.439394 | 0.891566 |
44 | G4P | 0.439024 | 0.878049 |
45 | 0O2 | 0.436508 | 0.878049 |
46 | G3D | 0.434426 | 0.878049 |
47 | JB3 | 0.433824 | 0.892857 |
48 | NGD | 0.430657 | 0.926829 |
49 | 2GP | 0.429825 | 0.855422 |
50 | KBD | 0.425197 | 0.781609 |
51 | CG2 | 0.42446 | 0.860465 |
52 | 6CG | 0.422414 | 0.91358 |
53 | PGD | 0.42069 | 0.894118 |
54 | FEG | 0.42029 | 0.852273 |
55 | ZGP | 0.417266 | 0.885057 |
56 | FE9 | 0.413793 | 0.8125 |
57 | CAG | 0.412587 | 0.875 |
58 | KBJ | 0.412214 | 0.755556 |
59 | 2MD | 0.411348 | 0.863636 |
60 | U2G | 0.410072 | 0.860465 |
61 | MGD | 0.402778 | 0.863636 |
62 | GPX | 0.401575 | 0.843373 |
No: | Ligand | Similarity coefficient |
---|
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 |