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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 1331 families. | |||||
1 | 3M89 | Kd = 0.69 uM | GSP | C10 H16 N5 O13 P3 S | c1nc2c(n1[.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 1144 families. | |||||
1 | 3M89 | Kd = 0.69 uM | GSP | C10 H16 N5 O13 P3 S | c1nc2c(n1[.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | GSP | 1 | 1 |
2 | GP3 | 0.897436 | 0.925 |
3 | GTP | 0.853659 | 0.948718 |
4 | GNH | 0.829268 | 0.936709 |
5 | GDP | 0.817073 | 0.948718 |
6 | G1R | 0.8 | 0.936709 |
7 | GCP | 0.77907 | 0.925 |
8 | 9GM | 0.770115 | 0.925 |
9 | GNP | 0.770115 | 0.925 |
10 | GMV | 0.767442 | 0.925 |
11 | G | 0.756098 | 0.935897 |
12 | 5GP | 0.756098 | 0.935897 |
13 | G2R | 0.747253 | 0.91358 |
14 | GDD | 0.744681 | 0.91358 |
15 | GDC | 0.744681 | 0.91358 |
16 | GKE | 0.744681 | 0.91358 |
17 | GPG | 0.73913 | 0.91358 |
18 | GTG | 0.736842 | 0.891566 |
19 | G3A | 0.729167 | 0.925 |
20 | G5P | 0.721649 | 0.925 |
21 | GDR | 0.71875 | 0.91358 |
22 | GFB | 0.71875 | 0.91358 |
23 | GAV | 0.714286 | 0.987179 |
24 | GP2 | 0.712644 | 0.91358 |
25 | 6CK | 0.71134 | 0.891566 |
26 | Y9Z | 0.708333 | 0.860465 |
27 | JB2 | 0.69697 | 0.91358 |
28 | GKD | 0.69697 | 0.91358 |
29 | G2P | 0.692308 | 0.91358 |
30 | GPD | 0.69 | 0.880952 |
31 | GDX | 0.69 | 0.925 |
32 | GDP BEF | 0.681319 | 0.888889 |
33 | GTP MG | 0.673913 | 0.911392 |
34 | ALF 5GP | 0.67033 | 0.847059 |
35 | 0O2 | 0.666667 | 0.935897 |
36 | YGP | 0.663265 | 0.858824 |
37 | JB3 | 0.657143 | 0.902439 |
38 | GDP AF3 | 0.645833 | 0.847059 |
39 | GDP ALF | 0.645833 | 0.847059 |
40 | GMP | 0.641975 | 0.835443 |
41 | G3D | 0.638298 | 0.935897 |
42 | NGD | 0.635514 | 0.91358 |
43 | 2MD | 0.633027 | 0.894118 |
44 | CAG | 0.630631 | 0.840909 |
45 | G4P | 0.625 | 0.935897 |
46 | FEG | 0.62037 | 0.83908 |
47 | U2G | 0.62037 | 0.891566 |
48 | MGD | 0.616071 | 0.894118 |
49 | ZGP | 0.614679 | 0.872093 |
50 | CG2 | 0.609091 | 0.891566 |
51 | TPG | 0.598291 | 0.804348 |
52 | KB7 | 0.595745 | 0.788235 |
53 | 3GP | 0.595506 | 0.898734 |
54 | GDP 7MG | 0.590476 | 0.86747 |
55 | GH3 | 0.581633 | 0.924051 |
56 | PGD | 0.581197 | 0.926829 |
57 | MD1 | 0.581197 | 0.894118 |
58 | 2GP | 0.577778 | 0.911392 |
59 | DGT | 0.561224 | 0.878049 |
60 | DBG | 0.558333 | 0.902439 |
61 | KBD | 0.553398 | 0.788235 |
62 | G1G | 0.550847 | 0.880952 |
63 | AGS | 0.547368 | 0.924051 |
64 | QBQ | 0.546392 | 0.935897 |
65 | FE9 | 0.546219 | 0.8 |
66 | G4M | 0.539062 | 0.840909 |
67 | KBJ | 0.53271 | 0.761364 |
68 | MGP | 0.525253 | 0.91358 |
69 | GPX | 0.524272 | 0.898734 |
70 | BGO | 0.521739 | 0.879518 |
71 | I2C FE2 CMO CMO | 0.520661 | 0.774194 |
72 | DGI | 0.520408 | 0.878049 |
73 | 6G0 | 0.52 | 0.91358 |
74 | IDP | 0.515464 | 0.923077 |
75 | R5I | 0.51 | 0.898734 |
76 | R7I | 0.51 | 0.898734 |
77 | GGM | 0.508475 | 0.858824 |
78 | G1R G1R | 0.508065 | 0.879518 |
79 | PGD O | 0.504 | 0.875 |
80 | AKW | 0.495726 | 0.915663 |
81 | CZF | 0.49 | 0.886076 |
82 | GTA | 0.486726 | 0.891566 |
83 | P2G | 0.484536 | 0.839506 |
84 | GPC | 0.483607 | 0.83908 |
85 | G C | 0.483333 | 0.857143 |
86 | P1G | 0.474747 | 0.829268 |
87 | DGP | 0.474227 | 0.865854 |
88 | DG | 0.474227 | 0.865854 |
89 | BA3 | 0.46875 | 0.85 |
90 | AP5 | 0.463918 | 0.85 |
91 | B4P | 0.463918 | 0.85 |
92 | IMP | 0.463918 | 0.910256 |
93 | G2Q | 0.462963 | 0.91358 |
94 | APC G U | 0.456693 | 0.843373 |
95 | ATP | 0.45 | 0.873418 |
96 | HEJ | 0.45 | 0.873418 |
97 | A2D | 0.447917 | 0.85 |
98 | 5FA | 0.445545 | 0.873418 |
99 | AQP | 0.445545 | 0.873418 |
100 | G7M | 0.444444 | 0.901235 |
101 | 01G | 0.442478 | 0.860465 |
102 | SGP | 0.44 | 0.876543 |
103 | ITT | 0.44 | 0.825 |
104 | JSQ | 0.436893 | 0.831325 |
105 | HFD | 0.436893 | 0.831325 |
106 | GZ0 | 0.433333 | 0.902439 |
107 | AT4 | 0.43 | 0.911392 |
108 | AN2 | 0.43 | 0.8625 |
109 | A4P | 0.42623 | 0.829545 |
110 | UCG | 0.424242 | 0.86747 |
111 | C2E | 0.423077 | 0.875 |
112 | PCG | 0.423077 | 0.886076 |
113 | 35G | 0.423077 | 0.886076 |
114 | MGO | 0.420561 | 0.823529 |
115 | ADP | 0.42 | 0.873418 |
116 | ANP | 0.419048 | 0.851852 |
117 | 5GP 5GP | 0.419048 | 0.839506 |
118 | M7G A2M G | 0.418301 | 0.774194 |
119 | ADQ | 0.418182 | 0.829268 |
120 | APR | 0.417476 | 0.85 |
121 | 7DT | 0.417476 | 0.860759 |
122 | AR6 | 0.417476 | 0.85 |
123 | PRT | 0.417391 | 0.910256 |
124 | HQG | 0.416667 | 0.8625 |
125 | C1Z | 0.415929 | 0.935897 |
126 | AD9 | 0.413462 | 0.851852 |
127 | UP5 | 0.413223 | 0.831325 |
128 | A22 | 0.412844 | 0.8625 |
129 | 25L | 0.412281 | 0.8625 |
130 | M33 | 0.411765 | 0.839506 |
131 | JBT | 0.410405 | 0.783505 |
132 | ACP | 0.407767 | 0.851852 |
133 | 6YZ | 0.407407 | 0.851852 |
134 | ACQ | 0.40566 | 0.851852 |
135 | A1R | 0.405405 | 0.8 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | BEF GDP | 0.9951 |
2 | ALF GDP | 0.9840 |
3 | BEF ADP | 0.9761 |
4 | DTP | 0.9655 |
5 | ADP ALF | 0.9598 |
6 | GDP MG | 0.9446 |
7 | ADP AF3 | 0.9389 |
8 | UTP | 0.9143 |
9 | CTP | 0.9100 |
10 | ATF | 0.9078 |
11 | ADP MG | 0.8998 |
12 | DSZ | 0.8805 |
13 | APC | 0.8789 |
14 | AMO | 0.8780 |
15 | DAT | 0.8737 |
16 | ADP BEF | 0.8685 |
17 | AV2 | 0.8567 |
18 | SAM | 0.8566 |
This union binding pocket(no: 1) in the query (biounit: 3m89.bio1) has 17 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |