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- 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 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 | 6G0 | 1 | 1 |
2 | MGP | 0.986667 | 1 |
3 | G7M | 0.78481 | 0.987013 |
4 | GTG | 0.752688 | 0.974684 |
5 | GTA | 0.729167 | 0.974684 |
6 | MG7 | 0.64557 | 0.884615 |
7 | QBQ | 0.644444 | 0.948052 |
8 | MGO | 0.612903 | 0.901235 |
9 | GTP | 0.612903 | 0.961039 |
10 | GDP 7MG | 0.586538 | 0.949367 |
11 | GP3 | 0.569892 | 0.936709 |
12 | GDP | 0.547368 | 0.961039 |
13 | GSP | 0.52 | 0.91358 |
14 | MGQ | 0.509804 | 0.925 |
15 | AQP | 0.5 | 0.884615 |
16 | CZF | 0.5 | 0.897436 |
17 | 5FA | 0.5 | 0.884615 |
18 | MGV | 0.495238 | 0.880952 |
19 | GAV | 0.495146 | 0.925 |
20 | G1R | 0.49505 | 0.948718 |
21 | GNH | 0.494949 | 0.948718 |
22 | 01G | 0.490741 | 0.870588 |
23 | GNP | 0.490196 | 0.936709 |
24 | 9GM | 0.490196 | 0.936709 |
25 | HFD | 0.489796 | 0.841463 |
26 | JSQ | 0.489796 | 0.841463 |
27 | HEJ | 0.489583 | 0.884615 |
28 | ATP | 0.489583 | 0.884615 |
29 | G5P | 0.486486 | 0.936709 |
30 | GCP | 0.480392 | 0.936709 |
31 | G3A | 0.477477 | 0.936709 |
32 | 7DT | 0.469388 | 0.871795 |
33 | G2R | 0.46729 | 0.925 |
34 | ITT | 0.463918 | 0.835443 |
35 | 5GP | 0.463918 | 0.948052 |
36 | G | 0.463918 | 0.948052 |
37 | 0O2 | 0.462963 | 0.948052 |
38 | AJQ | 0.462185 | 0.926829 |
39 | Y9Z | 0.459459 | 0.892857 |
40 | GDD | 0.459459 | 0.925 |
41 | GKE | 0.459459 | 0.925 |
42 | GDC | 0.459459 | 0.925 |
43 | B4P | 0.458333 | 0.860759 |
44 | AP5 | 0.458333 | 0.860759 |
45 | GMV | 0.456311 | 0.936709 |
46 | GDR | 0.455357 | 0.949367 |
47 | GFB | 0.455357 | 0.949367 |
48 | GPD | 0.452174 | 0.914634 |
49 | DGT | 0.451923 | 0.888889 |
50 | 6CK | 0.451327 | 0.902439 |
51 | BA3 | 0.447917 | 0.860759 |
52 | G2P | 0.447619 | 0.925 |
53 | GKD | 0.443478 | 0.925 |
54 | JB2 | 0.443478 | 0.949367 |
55 | NGD | 0.441667 | 0.949367 |
56 | 8GT | 0.441176 | 0.843373 |
57 | MGT | 0.438095 | 0.837209 |
58 | GPG | 0.436364 | 0.925 |
59 | A4P | 0.433333 | 0.83908 |
60 | CAG | 0.432 | 0.894118 |
61 | GH3 | 0.429907 | 0.935897 |
62 | ADP | 0.428571 | 0.884615 |
63 | 6YZ | 0.428571 | 0.8625 |
64 | GDX | 0.42735 | 0.936709 |
65 | GP2 | 0.427184 | 0.925 |
66 | RGT | 0.424779 | 0.875 |
67 | YGP | 0.424779 | 0.891566 |
68 | IDP | 0.421569 | 0.935065 |
69 | JB3 | 0.421488 | 0.9375 |
70 | 25L | 0.419643 | 0.873418 |
71 | A2D | 0.412371 | 0.860759 |
72 | TPG | 0.412214 | 0.853933 |
73 | GDP BEF | 0.411215 | 0.924051 |
74 | 7DD | 0.41 | 0.871795 |
75 | 6AD | 0.409524 | 0.855422 |
76 | AGS | 0.407767 | 0.841463 |
77 | G3D | 0.407407 | 0.948052 |
78 | GTP MG | 0.407407 | 0.948052 |
79 | G2Q | 0.405405 | 0.925 |
80 | ALF 5GP | 0.401869 | 0.879518 |
81 | ACQ | 0.4 | 0.8625 |
82 | ANP | 0.4 | 0.8625 |
83 | G4P | 0.4 | 0.948052 |
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 |