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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 2 families. | |||||
1 | 3OKA | Kd = 19 uM | GDD | C16 H25 N5 O16 P2 | c1nc2c(n1[.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 2 families. | |||||
1 | 3OKA | Kd = 19 uM | GDD | C16 H25 N5 O16 P2 | c1nc2c(n1[.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | GDD | 1 | 1 |
2 | GDC | 1 | 1 |
3 | GKE | 1 | 1 |
4 | GFB | 0.804124 | 0.974359 |
5 | GDR | 0.804124 | 0.974359 |
6 | 6CK | 0.795918 | 0.95 |
7 | GDX | 0.772277 | 0.987013 |
8 | GP3 | 0.755556 | 0.961538 |
9 | GDP | 0.747253 | 0.961039 |
10 | JB2 | 0.745098 | 0.974359 |
11 | GKD | 0.745098 | 1 |
12 | GSP | 0.744681 | 0.91358 |
13 | GTP | 0.741935 | 0.961039 |
14 | GNH | 0.73913 | 0.948718 |
15 | G1R | 0.734043 | 0.974026 |
16 | JB3 | 0.719626 | 0.962025 |
17 | GPD | 0.704762 | 0.938272 |
18 | GCP | 0.697917 | 0.936709 |
19 | G | 0.692308 | 0.948052 |
20 | 5GP | 0.692308 | 0.948052 |
21 | GNP | 0.690722 | 0.936709 |
22 | 9GM | 0.690722 | 0.936709 |
23 | GPG | 0.683168 | 0.974359 |
24 | G2R | 0.673267 | 0.925 |
25 | GMV | 0.670103 | 0.936709 |
26 | G3A | 0.660377 | 0.961538 |
27 | G5P | 0.654206 | 0.961538 |
28 | GAV | 0.643564 | 0.925 |
29 | Y9Z | 0.641509 | 0.892857 |
30 | G2P | 0.64 | 0.925 |
31 | GP2 | 0.639175 | 0.925 |
32 | GTG | 0.635514 | 0.925926 |
33 | GMP | 0.625 | 0.87013 |
34 | ADQ | 0.61165 | 0.910256 |
35 | U2G | 0.608696 | 0.95 |
36 | G4M | 0.604651 | 0.916667 |
37 | ALF 5GP | 0.60396 | 0.857143 |
38 | 0O2 | 0.603774 | 0.948052 |
39 | YGP | 0.601852 | 0.891566 |
40 | G4P | 0.596154 | 0.948052 |
41 | G3D | 0.592233 | 0.948052 |
42 | GDP AF3 | 0.584906 | 0.857143 |
43 | GDP ALF | 0.584906 | 0.857143 |
44 | ALF GDP | 0.584906 | 0.857143 |
45 | CG2 | 0.584746 | 0.95 |
46 | NGD | 0.581197 | 0.949367 |
47 | 3GP | 0.56701 | 0.935065 |
48 | 2MD | 0.566667 | 0.882353 |
49 | CAG | 0.565574 | 0.872093 |
50 | G G | 0.5625 | 0.936709 |
51 | FEG | 0.554622 | 0.892857 |
52 | MGD | 0.552846 | 0.882353 |
53 | ZGP | 0.55 | 0.860465 |
54 | GDP 7MG | 0.53913 | 0.901235 |
55 | TPG | 0.539062 | 0.833333 |
56 | KB7 | 0.538462 | 0.841463 |
57 | MD1 | 0.535433 | 0.882353 |
58 | PGD | 0.535433 | 0.914634 |
59 | 2GP | 0.535354 | 0.948052 |
60 | FE9 | 0.527559 | 0.770833 |
61 | DBG | 0.527132 | 0.9375 |
62 | A G | 0.524194 | 0.924051 |
63 | G A A A | 0.524194 | 0.936709 |
64 | U A G G | 0.52 | 0.924051 |
65 | G1R G1R | 0.515385 | 0.9375 |
66 | GH3 | 0.513761 | 0.935897 |
67 | KBD | 0.504425 | 0.864198 |
68 | GCP G | 0.5 | 0.886076 |
69 | DGT | 0.495413 | 0.888889 |
70 | IDP | 0.495238 | 0.935065 |
71 | GPX | 0.491071 | 0.910256 |
72 | R5I | 0.490741 | 0.935065 |
73 | R7I | 0.490741 | 0.935065 |
74 | G U | 0.488 | 0.91358 |
75 | KBJ | 0.487179 | 0.833333 |
76 | DGI | 0.485981 | 0.888889 |
77 | G1G | 0.484615 | 0.914634 |
78 | BGO | 0.48 | 0.9375 |
79 | GPC | 0.469231 | 0.892857 |
80 | G C | 0.46875 | 0.91358 |
81 | PGD O | 0.466667 | 0.842697 |
82 | P2G | 0.466667 | 0.897436 |
83 | 2GW | 0.466102 | 0.792683 |
84 | UPG | 0.463636 | 0.8 |
85 | GUD | 0.463636 | 0.8 |
86 | MGP | 0.463636 | 0.925 |
87 | GDU | 0.463636 | 0.8 |
88 | UFM | 0.463636 | 0.8 |
89 | C5G | 0.460177 | 0.85 |
90 | JBT | 0.45977 | 0.810526 |
91 | 6G0 | 0.459459 | 0.925 |
92 | P1G | 0.457944 | 0.886076 |
93 | GGM | 0.457364 | 0.914634 |
94 | AKW | 0.456693 | 0.880952 |
95 | HQG | 0.455357 | 0.897436 |
96 | DAU | 0.448276 | 0.724138 |
97 | IMP | 0.447619 | 0.922078 |
98 | GTA | 0.447154 | 0.925926 |
99 | DGP | 0.443396 | 0.876543 |
100 | DG | 0.443396 | 0.876543 |
101 | G U34 | 0.44186 | 0.902439 |
102 | ADP BMA | 0.435897 | 0.886076 |
103 | APC G U | 0.432836 | 0.876543 |
104 | A2D | 0.432692 | 0.884615 |
105 | AGS | 0.427273 | 0.841463 |
106 | SAP | 0.427273 | 0.841463 |
107 | A G U | 0.424658 | 0.902439 |
108 | BA3 | 0.424528 | 0.884615 |
109 | G G G RPC | 0.424242 | 0.865854 |
110 | G2Q | 0.423729 | 0.925 |
111 | ATP | 0.422018 | 0.884615 |
112 | HEJ | 0.422018 | 0.884615 |
113 | AP5 | 0.420561 | 0.884615 |
114 | B4P | 0.420561 | 0.884615 |
115 | ADP | 0.420561 | 0.884615 |
116 | 139 | 0.419847 | 0.845238 |
117 | AR6 | 0.418182 | 0.884615 |
118 | AQP | 0.418182 | 0.884615 |
119 | APR | 0.418182 | 0.884615 |
120 | 5FA | 0.418182 | 0.884615 |
121 | AT4 | 0.416667 | 0.851852 |
122 | AN2 | 0.416667 | 0.873418 |
123 | G7M | 0.416667 | 0.9125 |
124 | G G G C | 0.416058 | 0.902439 |
125 | AD9 | 0.414414 | 0.8625 |
126 | UCG | 0.414286 | 0.901235 |
127 | A22 | 0.413793 | 0.897436 |
128 | A G C C | 0.413043 | 0.901235 |
129 | ITT | 0.412844 | 0.835443 |
130 | SGP | 0.412844 | 0.819277 |
131 | A G U U | 0.410596 | 0.902439 |
132 | ANP | 0.40708 | 0.8625 |
133 | ACQ | 0.40708 | 0.8625 |
134 | 01G | 0.406504 | 0.892857 |
135 | 1GW | 0.40625 | 0.764706 |
136 | DG DG | 0.404959 | 0.879518 |
137 | AFH | 0.404762 | 0.855422 |
138 | A4P | 0.40458 | 0.882353 |
139 | G C C C | 0.401408 | 0.91358 |
140 | M33 | 0.4 | 0.85 |
141 | ATF | 0.4 | 0.851852 |
This union binding pocket(no: 1) in the query (biounit: 3oka.bio2) has 16 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 3oka.bio1) has 16 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |