- Navigate
- Expand All | Collapse All
- Receptor | Ligand | View in 3D
- Family: 90% | 70% | 50% | site
- External Links
- |
- Download
- 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 | 5TK7 | - | 7D4 | C10 H16 N5 O12 P3 | c1nc(c2c(n.... |
2 | 5TK8 | - | 7D5 | C10 H14 N5 O6 P | c1nc(c2c(n.... |
3 | 5TK9 | - | 7D7 | C10 H13 N5 O3 | c1nc(c2c(n.... |
4 | 5TK6 | - | 7D3 | C10 H15 N5 O9 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 | 5TK7 | - | 7D4 | C10 H16 N5 O12 P3 | c1nc(c2c(n.... |
2 | 5TK8 | - | 7D5 | C10 H14 N5 O6 P | c1nc(c2c(n.... |
3 | 5TK9 | - | 7D7 | C10 H13 N5 O3 | c1nc(c2c(n.... |
4 | 5TK6 | - | 7D3 | C10 H15 N5 O9 P2 | c1nc(c2c(n.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | 7D5 | 1 | 1 |
2 | 7D3 | 0.830769 | 0.971831 |
3 | 7D4 | 0.782609 | 0.971831 |
4 | 7D7 | 0.7 | 0.855072 |
5 | AMP | 0.691176 | 0.902778 |
6 | A | 0.691176 | 0.902778 |
7 | A3P | 0.666667 | 0.902778 |
8 | A2P | 0.643836 | 0.888889 |
9 | 3AM | 0.605634 | 0.915493 |
10 | 2A5 | 0.602564 | 0.88 |
11 | 45A | 0.594595 | 0.853333 |
12 | ABM | 0.594595 | 0.853333 |
13 | A2D | 0.594595 | 0.853333 |
14 | ADP | 0.592105 | 0.878378 |
15 | 2AM | 0.591549 | 0.902778 |
16 | AMP MG | 0.589041 | 0.863014 |
17 | AN2 | 0.584416 | 0.866667 |
18 | D5M | 0.581081 | 0.890411 |
19 | DA | 0.581081 | 0.890411 |
20 | V3L | 0.580247 | 0.878378 |
21 | BA3 | 0.578947 | 0.853333 |
22 | AP2 | 0.578947 | 0.868421 |
23 | A12 | 0.578947 | 0.868421 |
24 | PAP | 0.575 | 0.890411 |
25 | AP5 | 0.571429 | 0.853333 |
26 | B4P | 0.571429 | 0.853333 |
27 | HEJ | 0.56962 | 0.878378 |
28 | ATP | 0.56962 | 0.878378 |
29 | SRA | 0.567568 | 0.855263 |
30 | OVE | 0.567568 | 0.866667 |
31 | AT4 | 0.564103 | 0.844156 |
32 | ADP MG | 0.564103 | 0.851351 |
33 | ADP BEF | 0.564103 | 0.851351 |
34 | AQP | 0.5625 | 0.878378 |
35 | 5FA | 0.5625 | 0.878378 |
36 | APC | 0.5625 | 0.868421 |
37 | ACQ | 0.560976 | 0.855263 |
38 | XYA | 0.560606 | 0.780822 |
39 | RAB | 0.560606 | 0.780822 |
40 | ADN | 0.560606 | 0.780822 |
41 | AU1 | 0.556962 | 0.855263 |
42 | ADX | 0.556962 | 0.771084 |
43 | M33 | 0.556962 | 0.842105 |
44 | CA0 | 0.556962 | 0.831169 |
45 | ATR | 0.555556 | 0.876712 |
46 | PPS | 0.554217 | 0.792683 |
47 | ACP | 0.55 | 0.855263 |
48 | KG4 | 0.55 | 0.831169 |
49 | 50T | 0.55 | 0.866667 |
50 | PRX | 0.54321 | 0.831169 |
51 | APR | 0.54321 | 0.853333 |
52 | AR6 | 0.54321 | 0.853333 |
53 | T99 | 0.542169 | 0.844156 |
54 | TAT | 0.542169 | 0.844156 |
55 | 6YZ | 0.541176 | 0.855263 |
56 | 25A | 0.54023 | 0.878378 |
57 | ATP MG | 0.536585 | 0.851351 |
58 | RBY | 0.536585 | 0.844156 |
59 | AD9 | 0.536585 | 0.855263 |
60 | AGS | 0.536585 | 0.833333 |
61 | APC MG | 0.536585 | 0.853333 |
62 | ADV | 0.536585 | 0.844156 |
63 | ADP PO3 | 0.536585 | 0.851351 |
64 | V2G | 0.535714 | 0.835443 |
65 | 5AL | 0.535714 | 0.842105 |
66 | J4G | 0.533333 | 0.833333 |
67 | CUU | 0.530864 | 0.878378 |
68 | AV2 | 0.529412 | 0.828947 |
69 | SON | 0.525 | 0.868421 |
70 | ANP | 0.52381 | 0.855263 |
71 | SRP | 0.523256 | 0.844156 |
72 | 5N5 | 0.521739 | 0.756757 |
73 | 8LE | 0.517647 | 0.810127 |
74 | A2R | 0.517241 | 0.866667 |
75 | HQG | 0.517241 | 0.866667 |
76 | A4D | 0.514286 | 0.756757 |
77 | 5CD | 0.514286 | 0.743243 |
78 | LMS | 0.513158 | 0.75 |
79 | DAT | 0.512195 | 0.866667 |
80 | BEF ADP | 0.511905 | 0.828947 |
81 | ATF | 0.511628 | 0.844156 |
82 | A22 | 0.511364 | 0.866667 |
83 | QA7 | 0.511364 | 0.810127 |
84 | DTA | 0.506849 | 0.75 |
85 | 101 | 0.506494 | 0.916667 |
86 | 3AT | 0.505882 | 0.878378 |
87 | GAP | 0.505882 | 0.831169 |
88 | 8LH | 0.505747 | 0.844156 |
89 | 8QN | 0.505618 | 0.842105 |
90 | TM1 | 0.505376 | 0.741176 |
91 | MTA | 0.5 | 0.714286 |
92 | A3G | 0.5 | 0.74026 |
93 | ADQ | 0.5 | 0.855263 |
94 | AMO | 0.5 | 0.820513 |
95 | KL2 | 0.5 | 0.824324 |
96 | A1R | 0.5 | 0.846154 |
97 | PTJ | 0.494624 | 0.8125 |
98 | AHX | 0.494505 | 0.8125 |
99 | MAP | 0.494382 | 0.833333 |
100 | 8LQ | 0.494382 | 0.820513 |
101 | GGZ | 0.494382 | 0.746988 |
102 | VO4 ADP | 0.494253 | 0.855263 |
103 | ALF ADP | 0.494253 | 0.7875 |
104 | ANP MG | 0.494253 | 0.842105 |
105 | 5X8 | 0.493976 | 0.705128 |
106 | 2VA | 0.493976 | 0.74026 |
107 | QQY | 0.493506 | 0.802632 |
108 | ACK | 0.493506 | 0.847222 |
109 | EP4 | 0.493151 | 0.696203 |
110 | 3L1 | 0.492958 | 0.783784 |
111 | NWW | 0.492958 | 0.675676 |
112 | 3AD | 0.492958 | 0.791667 |
113 | 3D1 | 0.492958 | 0.783784 |
114 | ANZ | 0.489796 | 0.7875 |
115 | NA7 | 0.48913 | 0.868421 |
116 | 9ZD | 0.488889 | 0.822785 |
117 | OZV | 0.488889 | 0.853333 |
118 | 5SV | 0.488889 | 0.8125 |
119 | 9ZA | 0.488889 | 0.822785 |
120 | OOB | 0.488889 | 0.842105 |
121 | DTP | 0.488372 | 0.866667 |
122 | A3S | 0.487805 | 0.75 |
123 | 3DH | 0.486842 | 0.714286 |
124 | M2T | 0.486486 | 0.679012 |
125 | 5AD | 0.485294 | 0.684932 |
126 | LAD | 0.483871 | 0.825 |
127 | B5V | 0.483871 | 0.820513 |
128 | 4AD | 0.483516 | 0.810127 |
129 | PAJ | 0.483516 | 0.802469 |
130 | A3R | 0.483516 | 0.846154 |
131 | AOC | 0.481013 | 0.76 |
132 | QQX | 0.480519 | 0.792208 |
133 | NB8 | 0.478723 | 0.790123 |
134 | TXA | 0.478723 | 0.820513 |
135 | FYA | 0.478723 | 0.842105 |
136 | ME8 | 0.478723 | 0.761905 |
137 | 00A | 0.478261 | 0.8 |
138 | DLL | 0.478261 | 0.842105 |
139 | JNT | 0.478261 | 0.855263 |
140 | DAL AMP | 0.477778 | 0.818182 |
141 | VRT | 0.476744 | 0.7125 |
142 | SO8 | 0.476744 | 0.730769 |
143 | A3T | 0.47619 | 0.76 |
144 | 5AS | 0.47561 | 0.727273 |
145 | AS | 0.475 | 0.844156 |
146 | ZAS | 0.474359 | 0.708861 |
147 | LQJ | 0.474227 | 0.878378 |
148 | 25L | 0.473684 | 0.866667 |
149 | 3UK | 0.473118 | 0.831169 |
150 | ADP BMA | 0.473118 | 0.831169 |
151 | PO4 PO4 A A A A PO4 | 0.473118 | 0.837838 |
152 | OAD | 0.473118 | 0.831169 |
153 | 9X8 | 0.473118 | 0.810127 |
154 | 6RE | 0.468354 | 0.725 |
155 | WAQ | 0.468085 | 0.822785 |
156 | PR8 | 0.468085 | 0.814815 |
157 | DZ4 | 0.465909 | 0.844156 |
158 | NVA 2AD | 0.465116 | 0.703704 |
159 | FA5 | 0.463918 | 0.820513 |
160 | ATP A | 0.463918 | 0.84 |
161 | ATP A A A | 0.463918 | 0.84 |
162 | 1ZZ | 0.463158 | 0.783133 |
163 | BIS | 0.463158 | 0.822785 |
164 | 3OD | 0.463158 | 0.831169 |
165 | DSH | 0.4625 | 0.7125 |
166 | XAH | 0.459184 | 0.804878 |
167 | Y3J | 0.458333 | 0.666667 |
168 | CC5 | 0.457143 | 0.753425 |
169 | J7C | 0.45679 | 0.734177 |
170 | 103 | 0.455696 | 0.824324 |
171 | DDS | 0.454545 | 0.864865 |
172 | 9SN | 0.453608 | 0.790123 |
173 | S4M | 0.451219 | 0.655172 |
174 | 8BR | 0.451219 | 0.844156 |
175 | G3A | 0.45 | 0.8125 |
176 | B5Y | 0.44898 | 0.810127 |
177 | KMQ | 0.44898 | 0.820513 |
178 | B5M | 0.44898 | 0.810127 |
179 | JB6 | 0.447917 | 0.8 |
180 | 48N | 0.446602 | 0.790123 |
181 | MAO | 0.445783 | 0.72619 |
182 | TSB | 0.445652 | 0.724138 |
183 | 7MD | 0.445545 | 0.783133 |
184 | G5P | 0.445545 | 0.8125 |
185 | A5A | 0.444444 | 0.732558 |
186 | NEC | 0.444444 | 0.688312 |
187 | APU | 0.443396 | 0.857143 |
188 | MYR AMP | 0.443299 | 0.761905 |
189 | SAH | 0.443182 | 0.708861 |
190 | G5A | 0.443182 | 0.727273 |
191 | SFG | 0.44186 | 0.714286 |
192 | H1Q | 0.44186 | 0.84 |
193 | 38Y | 0.440367 | 0.77381 |
194 | 4UV | 0.44 | 0.810127 |
195 | SSA | 0.43956 | 0.727273 |
196 | A3N | 0.439024 | 0.727273 |
197 | IMO | 0.439024 | 0.837838 |
198 | LAQ | 0.436893 | 0.783133 |
199 | AHZ | 0.436893 | 0.741176 |
200 | 12D | 0.436893 | 0.732558 |
201 | A7D | 0.435294 | 0.763158 |
202 | 54H | 0.434783 | 0.715909 |
203 | VMS | 0.434783 | 0.715909 |
204 | GJV | 0.433735 | 0.716049 |
205 | 6MZ | 0.433735 | 0.864865 |
206 | YLP | 0.432692 | 0.785714 |
207 | WMP | 0.432432 | 0.828947 |
208 | A5D | 0.431818 | 0.75 |
209 | SA8 | 0.431818 | 0.674699 |
210 | 4UU | 0.431373 | 0.810127 |
211 | GA7 | 0.431373 | 0.844156 |
212 | AFH | 0.431373 | 0.802469 |
213 | ARG AMP | 0.431373 | 0.77381 |
214 | AR6 AR6 | 0.431373 | 0.828947 |
215 | ZZB | 0.431193 | 0.783133 |
216 | NWQ | 0.43038 | 0.657895 |
217 | 53H | 0.430108 | 0.707865 |
218 | D3Y | 0.430108 | 0.730769 |
219 | 5CA | 0.430108 | 0.727273 |
220 | 4UW | 0.428571 | 0.780488 |
221 | NAX | 0.428571 | 0.771084 |
222 | 128 | 0.428571 | 0.724138 |
223 | DQV | 0.427184 | 0.842105 |
224 | GTA | 0.427184 | 0.783133 |
225 | TAD | 0.427184 | 0.802469 |
226 | SAI | 0.426966 | 0.7 |
227 | N5O | 0.426829 | 0.705128 |
228 | AFX | 0.426667 | 0.64557 |
229 | AMP DBH | 0.425743 | 0.807692 |
230 | TYM | 0.424528 | 0.820513 |
231 | SMM | 0.423913 | 0.655172 |
232 | 3NZ | 0.42268 | 0.725 |
233 | SAM | 0.422222 | 0.658824 |
234 | NPW | 0.422018 | 0.783133 |
235 | 5F1 | 0.421053 | 0.72 |
236 | LSS | 0.421053 | 0.692308 |
237 | DSZ | 0.421053 | 0.707865 |
238 | 7MC | 0.420561 | 0.764706 |
239 | L3W | 0.420561 | 0.820513 |
240 | YLB | 0.420561 | 0.785714 |
241 | YLC | 0.420561 | 0.804878 |
242 | 4TC | 0.420561 | 0.790123 |
243 | UPA | 0.420561 | 0.822785 |
244 | 52H | 0.419355 | 0.707865 |
245 | LPA AMP | 0.419048 | 0.761905 |
246 | NZQ | 0.418182 | 0.802469 |
247 | EEM | 0.417582 | 0.658824 |
248 | PUA | 0.417391 | 0.825 |
249 | N5A | 0.416667 | 0.679487 |
250 | NAI | 0.415094 | 0.8 |
251 | UP5 | 0.415094 | 0.810127 |
252 | 6V0 | 0.415094 | 0.790123 |
253 | DND | 0.415094 | 0.820513 |
254 | TXD | 0.415094 | 0.8 |
255 | 8X1 | 0.414894 | 0.741573 |
256 | 9BG | 0.414414 | 0.835443 |
257 | MHZ | 0.413793 | 0.686047 |
258 | 71V | 0.411765 | 0.822785 |
259 | TXE | 0.411215 | 0.8 |
260 | OMR | 0.411215 | 0.77381 |
261 | ALF ADP 3PG | 0.411215 | 0.759036 |
262 | KF5 | 0.410959 | 0.608108 |
263 | 0WD | 0.410714 | 0.8125 |
264 | XNP | 0.410714 | 0.792683 |
265 | 139 | 0.409091 | 0.814815 |
266 | YLA | 0.409091 | 0.785714 |
267 | NDP | 0.409091 | 0.8125 |
268 | ADJ | 0.409091 | 0.77381 |
269 | S7M | 0.408602 | 0.658824 |
270 | KAA | 0.408163 | 0.722222 |
271 | P5A | 0.408163 | 0.714286 |
272 | GSU | 0.408163 | 0.707865 |
273 | ARJ | 0.407895 | 0.712329 |
274 | AP0 | 0.407407 | 0.790123 |
275 | NSS | 0.40625 | 0.707865 |
276 | NOC | 0.405405 | 0.702703 |
277 | AYB | 0.405405 | 0.776471 |
278 | TXP | 0.405405 | 0.8125 |
279 | AAM | 0.404762 | 0.902778 |
280 | 9K8 | 0.40404 | 0.648936 |
281 | A4P | 0.40367 | 0.767442 |
282 | 80F | 0.403509 | 0.744186 |
283 | PAX | 0.403361 | 0.795181 |
284 | RP1 | 0.402439 | 0.805195 |
285 | SP1 | 0.402439 | 0.805195 |
286 | AAT | 0.402174 | 0.695122 |
287 | NVA LMS | 0.402062 | 0.684783 |
288 | YSA | 0.401961 | 0.707865 |
289 | NJP | 0.401786 | 0.833333 |
290 | ODP | 0.401786 | 0.802469 |
291 | F2R | 0.401786 | 0.785714 |
292 | ZDA | 0.4 | 0.802632 |
293 | AMZ | 0.4 | 0.802632 |
294 | C2R | 0.4 | 0.792208 |
295 | IOT | 0.4 | 0.797619 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | IMP | 0.9489 |
2 | 6MA | 0.9370 |
3 | 4X2 | 0.9273 |
4 | IRP | 0.9261 |
5 | FMP | 0.9245 |
6 | CMP | 0.9238 |
7 | DGP | 0.9225 |
8 | 5GP | 0.9218 |
9 | 8OP | 0.9179 |
10 | DG | 0.9173 |
11 | TMP | 0.9156 |
12 | XMP | 0.9134 |
13 | G | 0.9128 |
14 | UMP | 0.9123 |
15 | G7M | 0.9109 |
16 | UFP | 0.9094 |
17 | IMU | 0.9069 |
18 | 6OG | 0.9063 |
19 | FNU | 0.9062 |
20 | DU | 0.9028 |
21 | EO7 | 0.8965 |
22 | U5P | 0.8963 |
23 | PFU | 0.8961 |
24 | 8OG | 0.8955 |
25 | 5IU | 0.8902 |
26 | T3S | 0.8901 |
27 | 6SW | 0.8896 |
28 | TKW | 0.8889 |
29 | NIA | 0.8881 |
30 | U | 0.8861 |
31 | 6CG | 0.8848 |
32 | 9L3 | 0.8809 |
33 | 5FU | 0.8785 |
34 | NUP | 0.8768 |
35 | 5CM | 0.8765 |
36 | BRU | 0.8751 |
37 | NCN | 0.8746 |
38 | 7CH | 0.8744 |
39 | 5BU | 0.8730 |
40 | 5HU | 0.8729 |
41 | NMN | 0.8726 |
42 | 2DT | 0.8714 |
43 | 16B | 0.8712 |
44 | CNU | 0.8637 |
45 | QBT | 0.8624 |
46 | MZP | 0.8618 |
47 | CAR | 0.8608 |
48 | MTE | 0.8575 |
49 | IGP | 0.8544 |
This union binding pocket(no: 1) in the query (biounit: 5tk8.bio1) has 18 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 5tk8.bio1) has 18 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |