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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 1 families. | |||||
1 | 4QFX | - | DTP | C10 H16 N5 O12 P3 | c1nc(c2c(n.... |
2 | 6DW4 | - | GTP | C10 H16 N5 O14 P3 | c1nc2c(n1[.... |
3 | 4BZB | - | DGT | C10 H16 N5 O13 P3 | c1nc2c(n1[.... |
4 | 4TO6 | - | DGT | C10 H16 N5 O13 P3 | c1nc2c(n1[.... |
5 | 4RXQ | - | GTP | C10 H16 N5 O14 P3 | c1nc2c(n1[.... |
6 | 6DW7 | - | DTP | C10 H16 N5 O12 P3 | c1nc(c2c(n.... |
7 | 4QFY | - | DCP | C9 H16 N3 O13 P3 | C1[C@@H]([.... |
8 | 4MZ7 | - | DTP | C10 H16 N5 O12 P3 | c1nc(c2c(n.... |
9 | 4TNX | - | GTP | C10 H16 N5 O14 P3 | c1nc2c(n1[.... |
10 | 4RXP | - | DTP | C10 H16 N5 O12 P3 | c1nc(c2c(n.... |
11 | 4QG4 | - | DTP | C10 H16 N5 O12 P3 | c1nc(c2c(n.... |
12 | 4TO4 | - | DGT | C10 H16 N5 O13 P3 | c1nc2c(n1[.... |
13 | 6DWD | - | HDV | C11 H17 F N5 O12 P3 | Cc1nc(c2c(.... |
14 | 6DW5 | - | GTP | C10 H16 N5 O14 P3 | c1nc2c(n1[.... |
15 | 4ZWG | - | DTP | C10 H16 N5 O12 P3 | c1nc(c2c(n.... |
16 | 4TNZ | - | GTP | C10 H16 N5 O14 P3 | c1nc2c(n1[.... |
17 | 4RXR | - | GTP | C10 H16 N5 O14 P3 | c1nc2c(n1[.... |
18 | 4RXS | - | GTP | C10 H16 N5 O14 P3 | c1nc2c(n1[.... |
19 | 4TO2 | - | TTP | C10 H17 N2 O14 P3 | CC1=CN(C(=.... |
20 | 6DWJ | - | DTP | C10 H16 N5 O12 P3 | c1nc(c2c(n.... |
21 | 6DW3 | - | GTP | C10 H16 N5 O14 P3 | c1nc2c(n1[.... |
22 | 4TO3 | - | DGT | C10 H16 N5 O13 P3 | c1nc2c(n1[.... |
23 | 6DWK | - | GTP | C10 H16 N5 O14 P3 | c1nc2c(n1[.... |
24 | 4QG0 | - | DGT | C10 H16 N5 O13 P3 | c1nc2c(n1[.... |
25 | 4TO0 | - | GTP | C10 H16 N5 O14 P3 | c1nc2c(n1[.... |
26 | 4QG2 | - | GTP | C10 H16 N5 O14 P3 | c1nc2c(n1[.... |
27 | 4QG1 | - | GTP | C10 H16 N5 O14 P3 | c1nc2c(n1[.... |
28 | 4TNP | - | DCP | C9 H16 N3 O13 P3 | C1[C@@H]([.... |
29 | 4QFZ | - | TTP | C10 H17 N2 O14 P3 | CC1=CN(C(=.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 1 families. | |||||
1 | 4QFX | - | DTP | C10 H16 N5 O12 P3 | c1nc(c2c(n.... |
2 | 6DW4 | - | GTP | C10 H16 N5 O14 P3 | c1nc2c(n1[.... |
3 | 4BZB | - | DGT | C10 H16 N5 O13 P3 | c1nc2c(n1[.... |
4 | 4TO6 | - | DGT | C10 H16 N5 O13 P3 | c1nc2c(n1[.... |
5 | 4RXQ | - | GTP | C10 H16 N5 O14 P3 | c1nc2c(n1[.... |
6 | 6DW7 | - | DTP | C10 H16 N5 O12 P3 | c1nc(c2c(n.... |
7 | 4QFY | - | DCP | C9 H16 N3 O13 P3 | C1[C@@H]([.... |
8 | 4MZ7 | - | DTP | C10 H16 N5 O12 P3 | c1nc(c2c(n.... |
9 | 4TNX | - | GTP | C10 H16 N5 O14 P3 | c1nc2c(n1[.... |
10 | 4RXP | - | DTP | C10 H16 N5 O12 P3 | c1nc(c2c(n.... |
11 | 4QG4 | - | DTP | C10 H16 N5 O12 P3 | c1nc(c2c(n.... |
12 | 4TO4 | - | DGT | C10 H16 N5 O13 P3 | c1nc2c(n1[.... |
13 | 6DWD | - | HDV | C11 H17 F N5 O12 P3 | Cc1nc(c2c(.... |
14 | 6DW5 | - | GTP | C10 H16 N5 O14 P3 | c1nc2c(n1[.... |
15 | 4ZWG | - | DTP | C10 H16 N5 O12 P3 | c1nc(c2c(n.... |
16 | 4TNZ | - | GTP | C10 H16 N5 O14 P3 | c1nc2c(n1[.... |
17 | 4RXR | - | GTP | C10 H16 N5 O14 P3 | c1nc2c(n1[.... |
18 | 4RXS | - | GTP | C10 H16 N5 O14 P3 | c1nc2c(n1[.... |
19 | 4TO2 | - | TTP | C10 H17 N2 O14 P3 | CC1=CN(C(=.... |
20 | 6DWJ | - | DTP | C10 H16 N5 O12 P3 | c1nc(c2c(n.... |
21 | 6DW3 | - | GTP | C10 H16 N5 O14 P3 | c1nc2c(n1[.... |
22 | 4TO3 | - | DGT | C10 H16 N5 O13 P3 | c1nc2c(n1[.... |
23 | 6DWK | - | GTP | C10 H16 N5 O14 P3 | c1nc2c(n1[.... |
24 | 4QG0 | - | DGT | C10 H16 N5 O13 P3 | c1nc2c(n1[.... |
25 | 4TO0 | - | GTP | C10 H16 N5 O14 P3 | c1nc2c(n1[.... |
26 | 4QG2 | - | GTP | C10 H16 N5 O14 P3 | c1nc2c(n1[.... |
27 | 4QG1 | - | GTP | C10 H16 N5 O14 P3 | c1nc2c(n1[.... |
28 | 4TNP | - | DCP | C9 H16 N3 O13 P3 | C1[C@@H]([.... |
29 | 4QFZ | - | TTP | C10 H17 N2 O14 P3 | CC1=CN(C(=.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | GTP | 1 | 1 |
2 | GP3 | 0.921053 | 0.973684 |
3 | GDP | 0.909091 | 1 |
4 | GSP | 0.853659 | 0.948718 |
5 | GNH | 0.82716 | 0.986667 |
6 | G1R | 0.819277 | 0.986667 |
7 | GAV | 0.811765 | 0.961039 |
8 | 9GM | 0.809524 | 0.973684 |
9 | GNP | 0.809524 | 0.973684 |
10 | GCP | 0.797619 | 0.973684 |
11 | 5GP | 0.797468 | 0.986486 |
12 | G | 0.797468 | 0.986486 |
13 | GMV | 0.764706 | 0.973684 |
14 | G2R | 0.764045 | 0.961039 |
15 | G5P | 0.755319 | 0.973684 |
16 | GTG | 0.752688 | 0.936709 |
17 | G2P | 0.747126 | 0.961039 |
18 | G3A | 0.744681 | 0.973684 |
19 | GDD | 0.741935 | 0.961039 |
20 | GDC | 0.741935 | 0.961039 |
21 | GKE | 0.741935 | 0.961039 |
22 | 0O2 | 0.736264 | 0.986486 |
23 | GP2 | 0.729412 | 0.961039 |
24 | 6CK | 0.726316 | 0.936709 |
25 | Y9Z | 0.723404 | 0.902439 |
26 | GPG | 0.717391 | 0.961039 |
27 | GFB | 0.715789 | 0.961039 |
28 | GDR | 0.715789 | 0.961039 |
29 | GPD | 0.704082 | 0.925 |
30 | GKD | 0.693878 | 0.961039 |
31 | JB2 | 0.693878 | 0.961039 |
32 | GDX | 0.686869 | 0.973684 |
33 | ALF 5GP | 0.685393 | 0.888889 |
34 | GH3 | 0.681319 | 0.973333 |
35 | YGP | 0.677083 | 0.901235 |
36 | G3D | 0.67033 | 0.986486 |
37 | GDP AF3 | 0.659574 | 0.888889 |
38 | ALF GDP | 0.659574 | 0.888889 |
39 | GDP ALF | 0.659574 | 0.888889 |
40 | DGT | 0.659341 | 0.923077 |
41 | GMP | 0.658228 | 0.88 |
42 | G4P | 0.655914 | 0.986486 |
43 | JB3 | 0.653846 | 0.948718 |
44 | NGD | 0.647619 | 0.961039 |
45 | CAG | 0.642202 | 0.880952 |
46 | 2MD | 0.62963 | 0.891566 |
47 | MGP | 0.619565 | 0.961039 |
48 | U2G | 0.616822 | 0.936709 |
49 | 6G0 | 0.612903 | 0.961039 |
50 | MGD | 0.612613 | 0.891566 |
51 | TPG | 0.608696 | 0.840909 |
52 | CG2 | 0.605505 | 0.936709 |
53 | GDP 7MG | 0.601942 | 0.911392 |
54 | FEG | 0.601852 | 0.879518 |
55 | G G | 0.598039 | 0.948052 |
56 | ZGP | 0.59633 | 0.869048 |
57 | PGD | 0.591304 | 0.925 |
58 | MD1 | 0.591304 | 0.891566 |
59 | 3GP | 0.590909 | 0.946667 |
60 | GPX | 0.581633 | 0.946667 |
61 | DGI | 0.580645 | 0.923077 |
62 | IDP | 0.576087 | 0.972973 |
63 | DBG | 0.567797 | 0.948718 |
64 | 2GP | 0.555556 | 0.96 |
65 | FE9 | 0.555556 | 0.776596 |
66 | G4M | 0.547619 | 0.880952 |
67 | BGO | 0.544643 | 0.924051 |
68 | GCP G | 0.543689 | 0.921053 |
69 | ATP | 0.537634 | 0.92 |
70 | HEJ | 0.537634 | 0.92 |
71 | G1G | 0.533898 | 0.925 |
72 | AQP | 0.531915 | 0.92 |
73 | 5FA | 0.531915 | 0.92 |
74 | A G | 0.525862 | 0.935065 |
75 | G A A A | 0.525862 | 0.923077 |
76 | U A G G | 0.521368 | 0.935065 |
77 | HFD | 0.520833 | 0.873418 |
78 | R5I | 0.520408 | 0.946667 |
79 | R7I | 0.520408 | 0.946667 |
80 | 01G | 0.518868 | 0.902439 |
81 | P2G | 0.510638 | 0.883117 |
82 | ITT | 0.510638 | 0.868421 |
83 | AKW | 0.504348 | 0.890244 |
84 | GGM | 0.504274 | 0.901235 |
85 | G1R G1R | 0.504065 | 0.924051 |
86 | DGP | 0.5 | 0.910256 |
87 | PGD O | 0.5 | 0.850575 |
88 | MGO | 0.5 | 0.864198 |
89 | DG | 0.5 | 0.910256 |
90 | P1G | 0.5 | 0.871795 |
91 | GTA | 0.495495 | 0.936709 |
92 | PRT | 0.490741 | 0.959459 |
93 | B4P | 0.489362 | 0.894737 |
94 | AP5 | 0.489362 | 0.894737 |
95 | IMP | 0.489362 | 0.959459 |
96 | G U | 0.487179 | 0.9 |
97 | 7DT | 0.484536 | 0.906667 |
98 | GPC | 0.479339 | 0.879518 |
99 | G C | 0.478992 | 0.9 |
100 | BA3 | 0.478723 | 0.894737 |
101 | ADP | 0.473684 | 0.92 |
102 | G2Q | 0.471698 | 0.961039 |
103 | 6YZ | 0.470588 | 0.896104 |
104 | G7M | 0.46875 | 0.948052 |
105 | C1Z | 0.462963 | 0.986486 |
106 | 25L | 0.458716 | 0.907895 |
107 | A2D | 0.457447 | 0.894737 |
108 | RGT | 0.45045 | 0.909091 |
109 | AGS | 0.45 | 0.873418 |
110 | SAP | 0.45 | 0.873418 |
111 | SGP | 0.44898 | 0.82716 |
112 | A4P | 0.445378 | 0.869048 |
113 | G G G RPC | 0.442623 | 0.875 |
114 | ANP | 0.441176 | 0.896104 |
115 | ACQ | 0.441176 | 0.896104 |
116 | 8GT | 0.441176 | 0.875 |
117 | APC G U | 0.44 | 0.886076 |
118 | AT4 | 0.438776 | 0.884615 |
119 | G U34 | 0.438017 | 0.888889 |
120 | 6AD | 0.436893 | 0.841463 |
121 | G G G C | 0.433071 | 0.9125 |
122 | UP5 | 0.432203 | 0.873418 |
123 | PCG | 0.431373 | 0.933333 |
124 | C2E | 0.431373 | 0.921053 |
125 | 35G | 0.431373 | 0.933333 |
126 | A G C C | 0.429688 | 0.911392 |
127 | T99 | 0.427184 | 0.884615 |
128 | 5GP 5GP | 0.427184 | 0.883117 |
129 | TAT | 0.427184 | 0.884615 |
130 | AR6 | 0.425743 | 0.894737 |
131 | APR | 0.425743 | 0.894737 |
132 | 7DD | 0.424242 | 0.906667 |
133 | AN2 | 0.424242 | 0.907895 |
134 | DG DG | 0.423423 | 0.865854 |
135 | AD9 | 0.421569 | 0.896104 |
136 | M33 | 0.42 | 0.883117 |
137 | 7D4 | 0.42 | 0.835443 |
138 | UCG | 0.419847 | 0.911392 |
139 | HDV | 0.419048 | 0.825 |
140 | H6Y | 0.419048 | 0.946667 |
141 | G C C C | 0.416667 | 0.924051 |
142 | ACP | 0.415842 | 0.896104 |
143 | T5A | 0.414634 | 0.802326 |
144 | A1R | 0.412844 | 0.839506 |
145 | ADQ | 0.412844 | 0.871795 |
146 | MGQ | 0.412844 | 0.935897 |
147 | A3R | 0.412844 | 0.839506 |
148 | MGT | 0.411215 | 0.823529 |
149 | A G U | 0.410072 | 0.888889 |
150 | 93A | 0.41 | 0.833333 |
151 | A22 | 0.407407 | 0.907895 |
152 | CA0 | 0.405941 | 0.896104 |
153 | ATF | 0.40566 | 0.884615 |
154 | AGO | 0.404762 | 0.888889 |
155 | MGV | 0.401786 | 0.890244 |
156 | CGP | 0.4 | 0.86747 |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | HFD | 1 | 1 |
2 | AVV | 0.752941 | 0.948052 |
3 | HEJ | 0.695122 | 0.945946 |
4 | ATP | 0.695122 | 0.945946 |
5 | 5FA | 0.686747 | 0.945946 |
6 | AQP | 0.686747 | 0.945946 |
7 | 6AD | 0.655172 | 0.864198 |
8 | AP5 | 0.638554 | 0.92 |
9 | B4P | 0.638554 | 0.92 |
10 | 2FA | 0.626667 | 0.866667 |
11 | BA3 | 0.626506 | 0.92 |
12 | ADP | 0.619048 | 0.945946 |
13 | HDV | 0.611111 | 0.946667 |
14 | ITT | 0.604651 | 0.893333 |
15 | 6YZ | 0.604396 | 0.921053 |
16 | A2D | 0.60241 | 0.92 |
17 | RGT | 0.585859 | 0.909091 |
18 | AGS | 0.58427 | 0.897436 |
19 | SAP | 0.58427 | 0.897436 |
20 | 25L | 0.581633 | 0.933333 |
21 | ACQ | 0.571429 | 0.921053 |
22 | NFD | 0.5625 | 0.935065 |
23 | AN2 | 0.556818 | 0.933333 |
24 | AT4 | 0.556818 | 0.909091 |
25 | AR6 | 0.555556 | 0.92 |
26 | APR | 0.555556 | 0.92 |
27 | T99 | 0.554348 | 0.909091 |
28 | TAT | 0.554348 | 0.909091 |
29 | M33 | 0.550562 | 0.907895 |
30 | AD9 | 0.549451 | 0.921053 |
31 | ACP | 0.544444 | 0.921053 |
32 | 7DT | 0.538462 | 0.932432 |
33 | ANP | 0.537634 | 0.921053 |
34 | ADX | 0.533333 | 0.831325 |
35 | CA0 | 0.533333 | 0.896104 |
36 | AMP | 0.529412 | 0.918919 |
37 | A | 0.529412 | 0.918919 |
38 | ATF | 0.526316 | 0.986486 |
39 | A22 | 0.525773 | 0.933333 |
40 | APC | 0.521739 | 0.909091 |
41 | GTP | 0.520833 | 0.873418 |
42 | HF7 | 0.520833 | 0.848101 |
43 | 7D4 | 0.516484 | 0.858974 |
44 | A3R | 0.515152 | 0.8625 |
45 | ADQ | 0.515152 | 0.896104 |
46 | 50T | 0.51087 | 0.907895 |
47 | PRX | 0.505376 | 0.848101 |
48 | 71V | 0.5 | 0.8625 |
49 | A1R | 0.5 | 0.8625 |
50 | MGP | 0.494845 | 0.841463 |
51 | ABM | 0.494382 | 0.87013 |
52 | G5P | 0.490741 | 0.875 |
53 | OAD | 0.490196 | 0.896104 |
54 | 9X8 | 0.490196 | 0.873418 |
55 | 6G0 | 0.489796 | 0.841463 |
56 | EO7 | 0.488889 | 0.813953 |
57 | GTA | 0.486239 | 0.843373 |
58 | 5AL | 0.484536 | 0.883117 |
59 | AP2 | 0.483516 | 0.909091 |
60 | A12 | 0.483516 | 0.909091 |
61 | G3A | 0.481481 | 0.875 |
62 | 3OD | 0.480769 | 0.896104 |
63 | BIS | 0.480769 | 0.960526 |
64 | T5A | 0.478261 | 0.802326 |
65 | 25A | 0.475248 | 0.92 |
66 | SRP | 0.474747 | 0.860759 |
67 | DTP | 0.474227 | 0.858974 |
68 | 3AT | 0.474227 | 0.92 |
69 | UP5 | 0.473214 | 0.873418 |
70 | 7DD | 0.473118 | 0.932432 |
71 | SRA | 0.47191 | 0.871795 |
72 | 4AD | 0.470588 | 0.873418 |
73 | ADV | 0.46875 | 0.884615 |
74 | RBY | 0.46875 | 0.884615 |
75 | AU1 | 0.468085 | 0.921053 |
76 | 00A | 0.466019 | 0.910256 |
77 | GP3 | 0.463918 | 0.875 |
78 | AFH | 0.463636 | 0.935897 |
79 | A4P | 0.46087 | 0.804598 |
80 | 5SV | 0.460784 | 0.807229 |
81 | OOB | 0.460784 | 0.883117 |
82 | 8QN | 0.460784 | 0.883117 |
83 | TXD | 0.460177 | 0.8625 |
84 | MGO | 0.46 | 0.819277 |
85 | GDP | 0.459184 | 0.873418 |
86 | 2A5 | 0.458333 | 0.871795 |
87 | 9SN | 0.457944 | 0.923077 |
88 | AMO | 0.456311 | 0.884615 |
89 | PAJ | 0.456311 | 0.841463 |
90 | ADP PO3 | 0.453608 | 0.893333 |
91 | ATR | 0.453608 | 0.918919 |
92 | PTJ | 0.45283 | 0.851852 |
93 | TXA | 0.45283 | 0.884615 |
94 | DLL | 0.451923 | 0.883117 |
95 | AHX | 0.451923 | 0.851852 |
96 | MAP | 0.45098 | 0.897436 |
97 | ADP ALF | 0.45 | 0.897436 |
98 | ALF ADP | 0.45 | 0.897436 |
99 | CNA | 0.449153 | 0.884615 |
100 | 3UK | 0.447619 | 0.871795 |
101 | DND | 0.447368 | 0.884615 |
102 | NXX | 0.447368 | 0.884615 |
103 | 6V0 | 0.447368 | 0.851852 |
104 | DQV | 0.446429 | 0.907895 |
105 | IMO | 0.445652 | 0.88 |
106 | LAD | 0.443396 | 0.819277 |
107 | PR8 | 0.443396 | 0.809524 |
108 | B5V | 0.443396 | 0.860759 |
109 | WAQ | 0.443396 | 0.839506 |
110 | 7D3 | 0.44086 | 0.858974 |
111 | AP0 | 0.439655 | 0.851852 |
112 | ME8 | 0.439252 | 0.8 |
113 | NB8 | 0.439252 | 0.851852 |
114 | 1ZZ | 0.439252 | 0.8 |
115 | FYA | 0.439252 | 0.858974 |
116 | PAP | 0.438776 | 0.932432 |
117 | 48N | 0.438596 | 0.851852 |
118 | GSP | 0.436893 | 0.831325 |
119 | XAH | 0.436364 | 0.8 |
120 | NAI | 0.434783 | 0.8625 |
121 | NAX | 0.434783 | 0.831325 |
122 | F2R | 0.433333 | 0.823529 |
123 | 9ZA | 0.432692 | 0.8625 |
124 | 9ZD | 0.432692 | 0.8625 |
125 | 2FD | 0.431818 | 0.797468 |
126 | ADP VO4 | 0.431373 | 0.883117 |
127 | VO4 ADP | 0.431373 | 0.883117 |
128 | OMR | 0.431034 | 0.811765 |
129 | TXE | 0.431034 | 0.8625 |
130 | DDS | 0.43 | 0.833333 |
131 | GAP | 0.43 | 0.848101 |
132 | ADJ | 0.428571 | 0.811765 |
133 | LMS | 0.428571 | 0.788235 |
134 | 139 | 0.428571 | 0.831325 |
135 | 4TC | 0.42735 | 0.851852 |
136 | B5Y | 0.427273 | 0.85 |
137 | FA5 | 0.427273 | 0.860759 |
138 | PRT | 0.427273 | 0.883117 |
139 | YAP | 0.427273 | 0.85 |
140 | B5M | 0.427273 | 0.85 |
141 | A2R | 0.427184 | 0.933333 |
142 | SON | 0.427083 | 0.884615 |
143 | ARU | 0.424528 | 0.864198 |
144 | IDP | 0.424242 | 0.871795 |
145 | DAL AMP | 0.423077 | 0.858974 |
146 | ADP BMA | 0.420561 | 0.871795 |
147 | 4UV | 0.419643 | 0.85 |
148 | GAV | 0.415094 | 0.841463 |
149 | G1R | 0.413462 | 0.8625 |
150 | GCP | 0.413462 | 0.851852 |
151 | GA7 | 0.412281 | 0.860759 |
152 | 4UU | 0.412281 | 0.85 |
153 | GNH | 0.411765 | 0.8625 |
154 | 80F | 0.41129 | 0.802326 |
155 | N6P | 0.411215 | 0.866667 |
156 | AMZ | 0.411111 | 0.868421 |
157 | C2R | 0.411111 | 0.857143 |
158 | GNP | 0.409524 | 0.851852 |
159 | 9GM | 0.409524 | 0.851852 |
160 | PGS | 0.408163 | 0.839506 |
161 | GTG | 0.40708 | 0.843373 |
162 | NAD | 0.406504 | 0.883117 |
163 | COD | 0.406504 | 0.775281 |
164 | 6C6 | 0.405941 | 0.8375 |
165 | LAQ | 0.405172 | 0.8 |
166 | DAT | 0.40404 | 0.858974 |
167 | UPA | 0.403361 | 0.8625 |
168 | AIR | 0.402299 | 0.853333 |
169 | NIA | 0.402174 | 0.783133 |
170 | 5AS | 0.402062 | 0.744444 |
171 | 01G | 0.401786 | 0.793103 |
172 | YLP | 0.401709 | 0.781609 |
173 | AAM | 0.4 | 0.918919 |
174 | 7RA | 0.4 | 0.906667 |
175 | JB6 | 0.4 | 0.839506 |
176 | A3D | 0.4 | 0.871795 |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | DTP | 1 | 1 |
2 | DAT | 0.891892 | 1 |
3 | D5M | 0.773333 | 0.971831 |
4 | DA | 0.773333 | 0.971831 |
5 | AS | 0.696203 | 0.92 |
6 | DDS | 0.694118 | 0.944444 |
7 | HF7 | 0.689655 | 0.986111 |
8 | 3AT | 0.655172 | 0.931507 |
9 | 7D4 | 0.635294 | 0.893333 |
10 | ATP | 0.627907 | 0.905405 |
11 | HEJ | 0.627907 | 0.905405 |
12 | 3D1 | 0.626667 | 0.835616 |
13 | 3L1 | 0.626667 | 0.835616 |
14 | 5FA | 0.62069 | 0.905405 |
15 | AQP | 0.62069 | 0.905405 |
16 | CPA | 0.584906 | 0.8625 |
17 | ZDA | 0.577778 | 0.853333 |
18 | B4P | 0.574713 | 0.88 |
19 | AP5 | 0.574713 | 0.88 |
20 | 5F1 | 0.56962 | 0.794521 |
21 | BA3 | 0.563218 | 0.88 |
22 | DGT | 0.557895 | 0.909091 |
23 | ADP | 0.556818 | 0.905405 |
24 | 101 | 0.552941 | 0.917808 |
25 | 7D3 | 0.551724 | 0.893333 |
26 | A2D | 0.54023 | 0.88 |
27 | DOI | 0.539326 | 0.917808 |
28 | 2A5 | 0.532609 | 0.932432 |
29 | 6YZ | 0.53125 | 0.906667 |
30 | 25L | 0.529412 | 0.893333 |
31 | SAP | 0.526882 | 0.858974 |
32 | PAP | 0.526882 | 0.917808 |
33 | AGS | 0.526882 | 0.858974 |
34 | ATR | 0.526882 | 0.930556 |
35 | TAT | 0.515789 | 0.87013 |
36 | T99 | 0.515789 | 0.87013 |
37 | 103 | 0.505747 | 0.826667 |
38 | AN2 | 0.5 | 0.893333 |
39 | AR6 | 0.5 | 0.88 |
40 | AT4 | 0.5 | 0.87013 |
41 | ACQ | 0.5 | 0.906667 |
42 | APR | 0.5 | 0.88 |
43 | A1R | 0.49505 | 0.921053 |
44 | A3R | 0.49505 | 0.921053 |
45 | AD9 | 0.494737 | 0.881579 |
46 | M33 | 0.494624 | 0.868421 |
47 | AV2 | 0.489796 | 0.88 |
48 | ACP | 0.489362 | 0.906667 |
49 | A | 0.488636 | 0.878378 |
50 | AMP | 0.488636 | 0.878378 |
51 | 7D5 | 0.488372 | 0.866667 |
52 | T5A | 0.486957 | 0.853659 |
53 | NA7 | 0.485437 | 0.945946 |
54 | DGI | 0.484536 | 0.909091 |
55 | ANP | 0.484536 | 0.881579 |
56 | 128 | 0.482143 | 0.747126 |
57 | A2R | 0.48 | 0.893333 |
58 | ADX | 0.478723 | 0.795181 |
59 | CA0 | 0.478723 | 0.857143 |
60 | A22 | 0.475248 | 0.893333 |
61 | HDV | 0.474747 | 0.881579 |
62 | HFD | 0.474227 | 0.858974 |
63 | ABM | 0.472527 | 0.831169 |
64 | APC | 0.46875 | 0.92 |
65 | PRX | 0.46875 | 0.833333 |
66 | ADQ | 0.466019 | 0.857143 |
67 | PPS | 0.464646 | 0.817073 |
68 | ITT | 0.463158 | 0.853333 |
69 | 6OG | 0.463158 | 0.907895 |
70 | A2P | 0.462366 | 0.916667 |
71 | A3P | 0.462366 | 0.90411 |
72 | DA DT DA DA | 0.460317 | 0.829268 |
73 | ATF | 0.46 | 0.87013 |
74 | 50T | 0.458333 | 0.868421 |
75 | N5P | 0.456311 | 0.797468 |
76 | 4AD | 0.451923 | 0.883117 |
77 | 5AL | 0.45 | 0.844156 |
78 | 3OD | 0.448598 | 0.857143 |
79 | A12 | 0.446809 | 0.92 |
80 | AP2 | 0.446809 | 0.92 |
81 | G5P | 0.446429 | 0.8375 |
82 | A4P | 0.444444 | 0.790698 |
83 | UP5 | 0.443478 | 0.835443 |
84 | 9X8 | 0.443396 | 0.835443 |
85 | OAD | 0.443396 | 0.857143 |
86 | MDR | 0.44186 | 0.783784 |
87 | SRP | 0.441176 | 0.87013 |
88 | 7DT | 0.438776 | 0.891892 |
89 | G3A | 0.4375 | 0.8375 |
90 | AP0 | 0.435897 | 0.814815 |
91 | NB8 | 0.435185 | 0.860759 |
92 | SRA | 0.434783 | 0.833333 |
93 | 00A | 0.433962 | 0.802469 |
94 | DLL | 0.433962 | 0.844156 |
95 | 2AM | 0.433333 | 0.90411 |
96 | AU1 | 0.43299 | 0.881579 |
97 | DCP | 0.43299 | 0.831169 |
98 | 6V0 | 0.431034 | 0.814815 |
99 | NAI | 0.431034 | 0.825 |
100 | GTA | 0.429825 | 0.807229 |
101 | 8QN | 0.428571 | 0.844156 |
102 | 25A | 0.428571 | 0.88 |
103 | 3AM | 0.428571 | 0.864865 |
104 | 5SV | 0.428571 | 0.814815 |
105 | OOB | 0.428571 | 0.844156 |
106 | 9SN | 0.427273 | 0.792683 |
107 | PR8 | 0.425926 | 0.8625 |
108 | WAQ | 0.425926 | 0.871795 |
109 | V3L | 0.425743 | 0.88 |
110 | NDP | 0.425 | 0.8375 |
111 | 139 | 0.425 | 0.8625 |
112 | AMO | 0.424528 | 0.894737 |
113 | PAJ | 0.424528 | 0.804878 |
114 | FYA | 0.422018 | 0.893333 |
115 | PTJ | 0.422018 | 0.814815 |
116 | 1ZZ | 0.422018 | 0.807229 |
117 | BIS | 0.422018 | 0.848101 |
118 | NZQ | 0.421488 | 0.85 |
119 | ADV | 0.42 | 0.894737 |
120 | ADP PO3 | 0.42 | 0.853333 |
121 | RBY | 0.42 | 0.894737 |
122 | OVE | 0.419355 | 0.868421 |
123 | MAP | 0.419048 | 0.858974 |
124 | GGZ | 0.419048 | 0.792683 |
125 | TXD | 0.418803 | 0.848101 |
126 | 3AD | 0.418605 | 0.77027 |
127 | ALF ADP | 0.417476 | 0.790123 |
128 | ADP ALF | 0.417476 | 0.790123 |
129 | 3UK | 0.416667 | 0.833333 |
130 | TXE | 0.415254 | 0.848101 |
131 | 0WD | 0.414634 | 0.8375 |
132 | 12D | 0.413793 | 0.755814 |
133 | LAD | 0.412844 | 0.85 |
134 | B5V | 0.412844 | 0.822785 |
135 | GAP | 0.411765 | 0.810127 |
136 | 2FD | 0.411111 | 0.805195 |
137 | FA5 | 0.410714 | 0.87013 |
138 | YAP | 0.410714 | 0.858974 |
139 | 48N | 0.410256 | 0.8375 |
140 | CNA | 0.409836 | 0.87013 |
141 | TXP | 0.409836 | 0.860759 |
142 | PUA | 0.409449 | 0.897436 |
143 | ME8 | 0.409091 | 0.807229 |
144 | TXA | 0.409091 | 0.846154 |
145 | AFH | 0.408696 | 0.82716 |
146 | SON | 0.408163 | 0.894737 |
147 | DGP | 0.408163 | 0.896104 |
148 | DG | 0.408163 | 0.896104 |
149 | AHX | 0.407407 | 0.860759 |
150 | DND | 0.40678 | 0.846154 |
151 | NXX | 0.40678 | 0.846154 |
152 | NAX | 0.40678 | 0.839506 |
153 | NJP | 0.406504 | 0.858974 |
154 | DAL AMP | 0.40566 | 0.820513 |
155 | DQV | 0.405172 | 0.868421 |
156 | 7D7 | 0.404762 | 0.733333 |
157 | OMR | 0.403361 | 0.819277 |
158 | GH3 | 0.401869 | 0.858974 |
159 | LAQ | 0.401709 | 0.807229 |
160 | NPW | 0.401639 | 0.851852 |
161 | ADS THS THS THS | 0.401575 | 0.770115 |
162 | XYA | 0.4 | 0.76 |
163 | ADP VO4 | 0.4 | 0.844156 |
164 | VO4 ADP | 0.4 | 0.844156 |
165 | CL9 | 0.4 | 0.805195 |
166 | RAB | 0.4 | 0.76 |
167 | ADN | 0.4 | 0.76 |
This union binding pocket(no: 1) in the query (biounit: 6dwd.bio1) has 21 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 2JCB | ADP | 2.5 |
2 | 1YVZ | JPC | 2.90909 |
3 | 3GWT | 066 | 4.24929 |
4 | 4S1B | 2BA | 4.5045 |
5 | 5BU2 | RIB | 5.28634 |
6 | 4AVV | CD | 5.39216 |
7 | 4AVV | GHE | 5.39216 |
8 | 1XON | PIL | 6.01719 |
9 | 1U3G | ADP | 11.1111 |
10 | 5ZCO | CHD | 13.6054 |
11 | 5Z84 | CHD | 13.6054 |
12 | 5W97 | CHD | 13.6054 |
13 | 4J6W | C | 19.5122 |
14 | 4N6W | FLC | 39.9123 |
This union binding pocket(no: 2) in the query (biounit: 6dwd.bio1) has 63 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 1SDW | IYT | 3.50318 |
2 | 3P48 | DUP | 4.08163 |
3 | 1Y2W | NAG | 4.22535 |
4 | 3UEC | ALA ARG TPO LYS | 4.79452 |
5 | 4Z2S | NDG | 4.92958 |
6 | 4Z2S | NAG | 4.92958 |
7 | 2OFE | NAG | 4.92958 |
8 | 2OFD | NGA | 4.92958 |
9 | 1JOC | ITP | 5.6 |
10 | 4TVD | BGC | 6.72727 |
11 | 5N6N | SUC | 7.91667 |
12 | 3QDV | NDG | 9.09091 |
13 | 3QDU | CBS CBS | 9.09091 |
14 | 3QX9 | ATP | 12.3188 |
15 | 5EB3 | UEG | 13.2075 |
16 | 4LRL | TTP | 21.0417 |
17 | 4LRL | DGT | 21.0417 |
18 | 5E6O | TRP GLU GLU LEU | 22.0339 |
19 | 1PVC | ILE SER GLU VAL | 27.9412 |
20 | 2HEK | GDP | 36.9272 |
This union binding pocket(no: 3) in the query (biounit: 6dwd.bio1) has 62 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 2Y91 | 98J | 2.26415 |
This union binding pocket(no: 4) in the query (biounit: 6dwd.bio1) has 62 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 2Y91 | 98J | 2.26415 |
2 | 1SDW | IYT | 3.50318 |
3 | 3P48 | DUP | 4.08163 |
4 | 3UEC | ALA ARG TPO LYS | 4.79452 |
5 | 4Z2S | NAG | 4.92958 |
6 | 4Z2S | NDG | 4.92958 |
7 | 2OFE | NAG | 4.92958 |
8 | 2OFD | NGA | 4.92958 |
9 | 1JOC | ITP | 5.6 |
10 | 5N6N | SUC | 7.91667 |
11 | 3QDV | NDG | 9.09091 |
12 | 3QX9 | ATP | 12.3188 |
13 | 4LRL | TTP | 21.0417 |
14 | 4LRL | DGT | 21.0417 |
15 | 1PVC | ILE SER GLU VAL | 27.9412 |
16 | 2HEK | GDP | 36.9272 |
This union binding pocket(no: 5) in the query (biounit: 6dwd.bio1) has 62 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 7) in the query (biounit: 6dwd.bio1) has 62 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 11) in the query (biounit: 6dwd.bio1) has 62 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 12) in the query (biounit: 6dwd.bio1) has 62 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |