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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 1331 families. | |||||
1 | 6O70 | - | LQJ | C20 H24 N10 O12 P2 | c1nc(c2c(n.... |
2 | 6O6X | - | A A A A | n/a | n/a |
3 | 6O6Z | - | LQJ | C20 H24 N10 O12 P2 | c1nc(c2c(n.... |
4 | 6O6V | - | A A A A | n/a | n/a |
5 | 6O6Y | - | LQJ | C20 H24 N10 O12 P2 | c1nc(c2c(n.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 1144 families. | |||||
1 | 6O70 | - | LQJ | C20 H24 N10 O12 P2 | c1nc(c2c(n.... |
2 | 6O6X | - | A A A A | n/a | n/a |
3 | 6O6Z | - | LQJ | C20 H24 N10 O12 P2 | c1nc(c2c(n.... |
4 | 6O6V | - | A A A A | n/a | n/a |
5 | 6O6Y | - | LQJ | C20 H24 N10 O12 P2 | c1nc(c2c(n.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | LQJ | 1 | 1 |
2 | GGZ | 0.708333 | 0.825 |
3 | ACK | 0.604396 | 0.914286 |
4 | 3AM | 0.593407 | 0.929577 |
5 | A3P | 0.556701 | 0.943662 |
6 | PAP | 0.554455 | 0.930556 |
7 | APU | 0.546219 | 0.92 |
8 | PPS | 0.538462 | 0.82716 |
9 | 25A | 0.513761 | 0.944444 |
10 | 9BG | 0.504 | 0.896104 |
11 | AV2 | 0.490741 | 0.891892 |
12 | ADP | 0.490196 | 0.917808 |
13 | A2D | 0.49 | 0.944444 |
14 | A | 0.489796 | 0.916667 |
15 | AMP | 0.489796 | 0.916667 |
16 | 25L | 0.486957 | 0.931507 |
17 | AN2 | 0.485437 | 0.905405 |
18 | 38V | 0.481203 | 0.839506 |
19 | AGS | 0.481132 | 0.87013 |
20 | AD9 | 0.481132 | 0.893333 |
21 | BA3 | 0.480392 | 0.944444 |
22 | ATP | 0.47619 | 0.917808 |
23 | HEJ | 0.47619 | 0.917808 |
24 | B4P | 0.475728 | 0.944444 |
25 | AP5 | 0.475728 | 0.944444 |
26 | QQY | 0.474747 | 0.864865 |
27 | 7D5 | 0.474227 | 0.878378 |
28 | OZV | 0.473214 | 0.944444 |
29 | ACQ | 0.472222 | 0.893333 |
30 | 5FA | 0.471698 | 0.917808 |
31 | AQP | 0.471698 | 0.917808 |
32 | AT4 | 0.471154 | 0.881579 |
33 | 7D3 | 0.470588 | 0.88 |
34 | ATR | 0.46729 | 0.916667 |
35 | M33 | 0.466667 | 0.905405 |
36 | ADX | 0.466667 | 0.82716 |
37 | CA0 | 0.466667 | 0.893333 |
38 | A2P | 0.466019 | 0.929577 |
39 | QQX | 0.464646 | 0.853333 |
40 | A22 | 0.464286 | 0.931507 |
41 | UPA | 0.464 | 0.907895 |
42 | ACP | 0.462264 | 0.893333 |
43 | 50T | 0.462264 | 0.88 |
44 | KG4 | 0.462264 | 0.893333 |
45 | ABM | 0.460784 | 0.891892 |
46 | 45A | 0.460784 | 0.891892 |
47 | ANP | 0.458716 | 0.893333 |
48 | AR6 | 0.457944 | 0.917808 |
49 | PRX | 0.457944 | 0.868421 |
50 | 2A5 | 0.457944 | 0.893333 |
51 | APR | 0.457944 | 0.917808 |
52 | APC | 0.457944 | 0.881579 |
53 | ADQ | 0.45614 | 0.945205 |
54 | UCG | 0.455882 | 0.860759 |
55 | SRA | 0.455446 | 0.868421 |
56 | AMP MG | 0.455446 | 0.902778 |
57 | HQG | 0.455357 | 0.905405 |
58 | 2AM | 0.454545 | 0.916667 |
59 | 8LE | 0.454545 | 0.87013 |
60 | 7D4 | 0.45283 | 0.88 |
61 | GPX | 0.452174 | 0.844156 |
62 | AP2 | 0.451923 | 0.881579 |
63 | A12 | 0.451923 | 0.881579 |
64 | 8LQ | 0.451327 | 0.881579 |
65 | ATF | 0.45045 | 0.881579 |
66 | NA7 | 0.448276 | 0.881579 |
67 | 5SV | 0.447368 | 0.825 |
68 | 6YZ | 0.446429 | 0.893333 |
69 | T99 | 0.445455 | 0.881579 |
70 | TAT | 0.445455 | 0.881579 |
71 | ADP BEF | 0.443396 | 0.916667 |
72 | ADP MG | 0.443396 | 0.916667 |
73 | A2R | 0.442478 | 0.905405 |
74 | ATP A A A | 0.441667 | 0.930556 |
75 | ATP A | 0.441667 | 0.930556 |
76 | 5AL | 0.441441 | 0.905405 |
77 | OVE | 0.441176 | 0.88 |
78 | ADN | 0.44086 | 0.819444 |
79 | XYA | 0.44086 | 0.819444 |
80 | RAB | 0.44086 | 0.819444 |
81 | DLL | 0.439655 | 0.931507 |
82 | AU1 | 0.439252 | 0.893333 |
83 | OOB | 0.434783 | 0.931507 |
84 | SRP | 0.433628 | 0.906667 |
85 | 8LH | 0.433628 | 0.906667 |
86 | 12D | 0.432 | 0.785714 |
87 | 0WD | 0.431818 | 0.871795 |
88 | PAJ | 0.431034 | 0.860759 |
89 | 4AD | 0.431034 | 0.87013 |
90 | BIS | 0.428571 | 0.858974 |
91 | 1ZZ | 0.428571 | 0.817073 |
92 | 3OD | 0.428571 | 0.893333 |
93 | 00A | 0.42735 | 0.883117 |
94 | ADV | 0.427273 | 0.881579 |
95 | RBY | 0.427273 | 0.881579 |
96 | QA7 | 0.426087 | 0.87013 |
97 | OAD | 0.423729 | 0.893333 |
98 | 3UK | 0.423729 | 0.918919 |
99 | 9X8 | 0.423729 | 0.87013 |
100 | 8QN | 0.422414 | 0.905405 |
101 | WAQ | 0.420168 | 0.858974 |
102 | B5V | 0.420168 | 0.906667 |
103 | V3L | 0.419643 | 0.917808 |
104 | DCA | 0.419118 | 0.781609 |
105 | A1R | 0.418803 | 0.883117 |
106 | A3R | 0.418803 | 0.883117 |
107 | AMO | 0.418803 | 0.881579 |
108 | B5M | 0.418033 | 0.894737 |
109 | FYA | 0.416667 | 0.905405 |
110 | SON | 0.416667 | 0.881579 |
111 | ZZB | 0.416667 | 0.817073 |
112 | TXA | 0.416667 | 0.881579 |
113 | PTJ | 0.416667 | 0.848101 |
114 | PUA | 0.416058 | 0.860759 |
115 | ANZ | 0.416 | 0.822785 |
116 | V2G | 0.415929 | 0.871795 |
117 | AHX | 0.415254 | 0.871795 |
118 | JNT | 0.415254 | 0.918919 |
119 | 7D7 | 0.414894 | 0.767123 |
120 | ADP PO3 | 0.414414 | 0.916667 |
121 | ATP MG | 0.414414 | 0.916667 |
122 | APC MG | 0.414414 | 0.891892 |
123 | 128 | 0.414062 | 0.776471 |
124 | NAX | 0.414062 | 0.85 |
125 | MAP | 0.413793 | 0.87013 |
126 | TM1 | 0.413223 | 0.795181 |
127 | DQV | 0.412698 | 0.931507 |
128 | ALF ADP | 0.412281 | 0.846154 |
129 | ADP BMA | 0.411765 | 0.918919 |
130 | V1N | 0.41129 | 0.917808 |
131 | 4UV | 0.41129 | 0.894737 |
132 | CMP | 0.411215 | 0.928571 |
133 | 2BA | 0.411215 | 0.942857 |
134 | BEF ADP | 0.410714 | 0.891892 |
135 | 9SN | 0.409836 | 0.871795 |
136 | LAQ | 0.409449 | 0.817073 |
137 | NPW | 0.409091 | 0.839506 |
138 | CUU | 0.409091 | 0.917808 |
139 | ETB | 0.408759 | 0.790698 |
140 | LAD | 0.408333 | 0.860759 |
141 | J4G | 0.408333 | 0.87013 |
142 | PR8 | 0.408333 | 0.85 |
143 | G3A | 0.408 | 0.871795 |
144 | GAP | 0.40708 | 0.893333 |
145 | FA5 | 0.406504 | 0.906667 |
146 | B5Y | 0.406504 | 0.894737 |
147 | KMQ | 0.406504 | 0.881579 |
148 | NB8 | 0.404959 | 0.848101 |
149 | ME8 | 0.404959 | 0.817073 |
150 | 4UU | 0.404762 | 0.894737 |
151 | G5P | 0.404762 | 0.871795 |
152 | LMS | 0.403846 | 0.804878 |
153 | COA | 0.402878 | 0.781609 |
154 | 0T1 | 0.402878 | 0.781609 |
155 | 5N5 | 0.402062 | 0.794521 |
156 | GTA | 0.401575 | 0.839506 |
157 | CMX | 0.401408 | 0.781609 |
158 | 1HE | 0.401361 | 0.747253 |
159 | VO4 ADP | 0.4 | 0.893333 |
160 | ANP MG | 0.4 | 0.905405 |
161 | TYM | 0.4 | 0.906667 |
No: | Ligand | Similarity coefficient |
---|
This union binding pocket(no: 1) in the query (biounit: 6o6y.bio1) has 12 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 6o6y.bio1) has 12 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 3) in the query (biounit: 6o6y.bio1) has 45 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 4) in the query (biounit: 6o6y.bio1) has 45 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |