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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 13 families. | |||||
1 | 5WM2 | - | SAL | C7 H6 O3 | c1ccc(c(c1.... |
2 | 5WM3 | - | B5V | C17 H18 N5 O9 P | c1ccc(c(c1.... |
3 | 5WM7 | - | AMP | C10 H14 N5 O7 P | c1nc(c2c(n.... |
4 | 5WM6 | - | OOB | C17 H18 N5 O8 P | c1ccc(cc1).... |
5 | 5WM5 | - | B5Y | C18 H20 N5 O9 P | Cc1ccc(c(c.... |
6 | 5WM4 | - | B5M | C18 H20 N5 O9 P | Cc1cccc(c1.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 8 families. | |||||
1 | 3O84 | Kd = 58 nM | HTJ | C19 H14 N4 O2 | c1ccc(cc1).... |
2 | 3O83 | - | IXN | C31 H43 N9 O8 S | CCCCCCCCCC.... |
3 | 5WM2 | - | SAL | C7 H6 O3 | c1ccc(c(c1.... |
4 | 5WM3 | - | B5V | C17 H18 N5 O9 P | c1ccc(c(c1.... |
5 | 5WM7 | - | AMP | C10 H14 N5 O7 P | c1nc(c2c(n.... |
6 | 5WM6 | - | OOB | C17 H18 N5 O8 P | c1ccc(cc1).... |
7 | 5WM5 | - | B5Y | C18 H20 N5 O9 P | Cc1ccc(c(c.... |
8 | 5WM4 | - | B5M | C18 H20 N5 O9 P | Cc1cccc(c1.... |
9 | 1MDB | - | AMP DBH | n/a | n/a |
10 | 6IYK | Ki = 50 nM | B1U | C17 H17 N7 O9 S | c1ccc(c(c1.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | B5V | 1 | 1 |
2 | 3UK | 0.811111 | 0.986301 |
3 | B5Y | 0.75 | 0.986486 |
4 | OOB | 0.73913 | 0.972603 |
5 | B5M | 0.731959 | 0.986486 |
6 | CA0 | 0.712644 | 0.933333 |
7 | KG4 | 0.704545 | 0.933333 |
8 | 9SN | 0.704082 | 0.935065 |
9 | 00A | 0.6875 | 0.922078 |
10 | 8LE | 0.684783 | 0.909091 |
11 | A2D | 0.674419 | 0.932432 |
12 | DLL | 0.670103 | 0.972603 |
13 | 5AL | 0.666667 | 0.945946 |
14 | BA3 | 0.659091 | 0.932432 |
15 | 8LQ | 0.65625 | 0.921053 |
16 | 8LH | 0.652632 | 0.921053 |
17 | SRP | 0.652632 | 0.921053 |
18 | AP5 | 0.651685 | 0.932432 |
19 | B4P | 0.651685 | 0.932432 |
20 | ADP | 0.651685 | 0.906667 |
21 | AT4 | 0.644444 | 0.871795 |
22 | AN2 | 0.644444 | 0.894737 |
23 | PAJ | 0.642857 | 0.875 |
24 | A | 0.639535 | 0.905405 |
25 | AMP | 0.639535 | 0.905405 |
26 | QA7 | 0.639175 | 0.909091 |
27 | ADX | 0.637363 | 0.819277 |
28 | M33 | 0.637363 | 0.894737 |
29 | AD9 | 0.634409 | 0.883117 |
30 | 8QN | 0.632653 | 0.945946 |
31 | FA5 | 0.631068 | 0.946667 |
32 | HEJ | 0.630435 | 0.906667 |
33 | 50T | 0.630435 | 0.87013 |
34 | ACP | 0.630435 | 0.883117 |
35 | ATP | 0.630435 | 0.906667 |
36 | 4AD | 0.626263 | 0.909091 |
37 | AMO | 0.626263 | 0.921053 |
38 | PR8 | 0.623762 | 0.864198 |
39 | LAD | 0.623762 | 0.875 |
40 | WAQ | 0.623762 | 0.897436 |
41 | PRX | 0.623656 | 0.858974 |
42 | AR6 | 0.623656 | 0.932432 |
43 | APR | 0.623656 | 0.932432 |
44 | 5FA | 0.623656 | 0.906667 |
45 | AQP | 0.623656 | 0.906667 |
46 | A12 | 0.622222 | 0.871795 |
47 | AP2 | 0.622222 | 0.871795 |
48 | ABM | 0.617977 | 0.881579 |
49 | 45A | 0.617977 | 0.881579 |
50 | ME8 | 0.617647 | 0.853659 |
51 | 1ZZ | 0.617647 | 0.853659 |
52 | AGS | 0.617021 | 0.860759 |
53 | AMP MG | 0.613636 | 0.891892 |
54 | ANP | 0.604167 | 0.883117 |
55 | ACQ | 0.604167 | 0.883117 |
56 | AHX | 0.60396 | 0.8625 |
57 | NB8 | 0.601942 | 0.886076 |
58 | TXA | 0.601942 | 0.921053 |
59 | PTJ | 0.601942 | 0.886076 |
60 | SRA | 0.595506 | 0.858974 |
61 | ATF | 0.591837 | 0.871795 |
62 | 4UV | 0.588785 | 0.934211 |
63 | GAP | 0.587629 | 0.907895 |
64 | FYA | 0.586538 | 0.894737 |
65 | 6YZ | 0.585859 | 0.883117 |
66 | AU1 | 0.585106 | 0.883117 |
67 | RBY | 0.583333 | 0.896104 |
68 | ADV | 0.583333 | 0.896104 |
69 | OAD | 0.582524 | 0.933333 |
70 | V2G | 0.581633 | 0.886076 |
71 | TYM | 0.580357 | 0.946667 |
72 | HQG | 0.58 | 0.92 |
73 | A3R | 0.578431 | 0.85 |
74 | 4UU | 0.577982 | 0.934211 |
75 | M24 | 0.575 | 0.911392 |
76 | ADP BEF | 0.574468 | 0.905405 |
77 | SON | 0.574468 | 0.921053 |
78 | ADP MG | 0.574468 | 0.905405 |
79 | A22 | 0.574257 | 0.92 |
80 | APC | 0.572917 | 0.871795 |
81 | DQV | 0.572727 | 0.945946 |
82 | TAT | 0.571429 | 0.871795 |
83 | NAX | 0.571429 | 0.864198 |
84 | T99 | 0.571429 | 0.871795 |
85 | 3OD | 0.571429 | 0.933333 |
86 | 5SV | 0.568627 | 0.817073 |
87 | 25A | 0.568627 | 0.932432 |
88 | OZV | 0.568627 | 0.906667 |
89 | LAQ | 0.567568 | 0.853659 |
90 | 9X8 | 0.567308 | 0.884615 |
91 | XAH | 0.564815 | 0.831325 |
92 | A1R | 0.563107 | 0.85 |
93 | ADQ | 0.563107 | 0.933333 |
94 | YLP | 0.5625 | 0.833333 |
95 | AMP DBH | 0.559633 | 0.933333 |
96 | DAL AMP | 0.558824 | 0.92 |
97 | JNT | 0.557692 | 0.883117 |
98 | 9ZA | 0.553398 | 0.897436 |
99 | 9ZD | 0.553398 | 0.897436 |
100 | IOT | 0.551724 | 0.823529 |
101 | ADP PO3 | 0.55102 | 0.905405 |
102 | APC MG | 0.55102 | 0.881579 |
103 | ATP MG | 0.55102 | 0.905405 |
104 | AFH | 0.54955 | 0.875 |
105 | YLB | 0.547826 | 0.833333 |
106 | YLC | 0.547826 | 0.853659 |
107 | YLA | 0.547009 | 0.833333 |
108 | BEF ADP | 0.545455 | 0.881579 |
109 | DND | 0.54386 | 0.946667 |
110 | 4UW | 0.54386 | 0.898734 |
111 | BIS | 0.542056 | 0.85 |
112 | AOC | 0.537634 | 0.789474 |
113 | 25L | 0.537037 | 0.92 |
114 | 48N | 0.535088 | 0.886076 |
115 | LMS | 0.532609 | 0.797619 |
116 | NAI | 0.530435 | 0.897436 |
117 | ANP MG | 0.529412 | 0.894737 |
118 | VO4 ADP | 0.529412 | 0.883117 |
119 | AYB | 0.529412 | 0.823529 |
120 | ALF ADP | 0.529412 | 0.8375 |
121 | MAP | 0.528846 | 0.860759 |
122 | KMQ | 0.527273 | 0.896104 |
123 | G3A | 0.526786 | 0.910256 |
124 | TXE | 0.525862 | 0.897436 |
125 | MYR AMP | 0.522936 | 0.831325 |
126 | G5P | 0.522124 | 0.910256 |
127 | GA7 | 0.522124 | 0.871795 |
128 | GTA | 0.517544 | 0.876543 |
129 | TXD | 0.517241 | 0.897436 |
130 | 6V0 | 0.517241 | 0.886076 |
131 | CNA | 0.516667 | 0.921053 |
132 | BT5 | 0.516393 | 0.823529 |
133 | AHZ | 0.513043 | 0.853659 |
134 | OMR | 0.512821 | 0.843373 |
135 | A3D | 0.512195 | 0.933333 |
136 | B1U | 0.508929 | 0.769231 |
137 | ARG AMP | 0.508772 | 0.821429 |
138 | L3W | 0.508475 | 0.896104 |
139 | NAD | 0.508197 | 0.945946 |
140 | D4F | 0.507937 | 0.9 |
141 | TAD | 0.504348 | 0.851852 |
142 | DZD | 0.504065 | 0.875 |
143 | RAB | 0.5 | 0.786667 |
144 | XYA | 0.5 | 0.786667 |
145 | 5CD | 0.5 | 0.773333 |
146 | ADN | 0.5 | 0.786667 |
147 | N0B | 0.5 | 0.855422 |
148 | 9K8 | 0.5 | 0.766667 |
149 | 5AS | 0.5 | 0.752809 |
150 | YLY | 0.5 | 0.823529 |
151 | G5A | 0.5 | 0.772727 |
152 | T5A | 0.495868 | 0.833333 |
153 | KOY | 0.495726 | 0.891892 |
154 | 7MD | 0.495652 | 0.853659 |
155 | ADP BMA | 0.495413 | 0.907895 |
156 | QXG | 0.495413 | 0.790698 |
157 | QXP | 0.495327 | 0.77907 |
158 | SSA | 0.495238 | 0.772727 |
159 | UP5 | 0.491525 | 0.909091 |
160 | 4YB | 0.491379 | 0.816092 |
161 | PAP | 0.490196 | 0.893333 |
162 | A3P | 0.489796 | 0.905405 |
163 | 5N5 | 0.488636 | 0.763158 |
164 | F2R | 0.487805 | 0.833333 |
165 | ATP A | 0.486726 | 0.918919 |
166 | 8PZ | 0.486726 | 0.793103 |
167 | ATP A A A | 0.486726 | 0.918919 |
168 | JB6 | 0.486486 | 0.873418 |
169 | TSB | 0.485981 | 0.790698 |
170 | A5A | 0.485714 | 0.8 |
171 | NAE | 0.484375 | 0.934211 |
172 | 7D5 | 0.483871 | 0.820513 |
173 | COD | 0.483871 | 0.784091 |
174 | AMP NAD | 0.483871 | 0.945946 |
175 | ADJ | 0.483607 | 0.843373 |
176 | UPA | 0.483333 | 0.897436 |
177 | NAD TDB | 0.483333 | 0.932432 |
178 | NAD IBO | 0.483333 | 0.932432 |
179 | 7MC | 0.483333 | 0.833333 |
180 | AP0 | 0.483333 | 0.8625 |
181 | 4TC | 0.483333 | 0.886076 |
182 | A4D | 0.483146 | 0.763158 |
183 | LPA AMP | 0.483051 | 0.831325 |
184 | NAQ | 0.48062 | 0.910256 |
185 | 2A5 | 0.480392 | 0.835443 |
186 | 7D3 | 0.479592 | 0.822785 |
187 | A4P | 0.479339 | 0.813953 |
188 | DTA | 0.478261 | 0.779221 |
189 | ZID | 0.476923 | 0.959459 |
190 | 54H | 0.476636 | 0.781609 |
191 | VMS | 0.476636 | 0.781609 |
192 | 52H | 0.476636 | 0.772727 |
193 | PPS | 0.47619 | 0.797619 |
194 | 80F | 0.47619 | 0.855422 |
195 | ATR | 0.475728 | 0.88 |
196 | 7D4 | 0.475248 | 0.822785 |
197 | ITT | 0.475248 | 0.88 |
198 | 3AM | 0.473684 | 0.866667 |
199 | NVA LMS | 0.472727 | 0.747253 |
200 | 5CA | 0.472222 | 0.772727 |
201 | 8X1 | 0.472222 | 0.747253 |
202 | 53H | 0.472222 | 0.772727 |
203 | 139 | 0.471545 | 0.864198 |
204 | H1Q | 0.470588 | 0.868421 |
205 | AR6 AR6 | 0.470085 | 0.932432 |
206 | EAD | 0.469697 | 0.864198 |
207 | YSA | 0.469565 | 0.813953 |
208 | J7C | 0.469388 | 0.719512 |
209 | EP4 | 0.467391 | 0.725 |
210 | NDE | 0.466667 | 0.946667 |
211 | P5A | 0.464286 | 0.73913 |
212 | 6RE | 0.463918 | 0.710843 |
213 | NSS | 0.463636 | 0.772727 |
214 | DSZ | 0.463636 | 0.793103 |
215 | LSS | 0.463636 | 0.755556 |
216 | 3DH | 0.463158 | 0.74359 |
217 | A2R | 0.462963 | 0.92 |
218 | ALF ADP 3PG | 0.46281 | 0.851852 |
219 | AF3 ADP 3PG | 0.46281 | 0.851852 |
220 | M2T | 0.462366 | 0.707317 |
221 | 6AD | 0.462264 | 0.829268 |
222 | A5D | 0.461538 | 0.779221 |
223 | BTX | 0.460317 | 0.811765 |
224 | A2P | 0.46 | 0.891892 |
225 | NDC | 0.459854 | 0.910256 |
226 | MTA | 0.457447 | 0.74359 |
227 | 5X8 | 0.456311 | 0.779221 |
228 | SFG | 0.456311 | 0.766234 |
229 | P1H | 0.455882 | 0.843373 |
230 | LEU LMS | 0.455357 | 0.744444 |
231 | A3N | 0.454545 | 0.734177 |
232 | V47 | 0.453704 | 0.824324 |
233 | ZAS | 0.453608 | 0.7375 |
234 | V3L | 0.45283 | 0.932432 |
235 | GSU | 0.451327 | 0.793103 |
236 | R2V | 0.451327 | 0.77907 |
237 | KAA | 0.451327 | 0.747253 |
238 | WSA | 0.45082 | 0.802326 |
239 | NWW | 0.450549 | 0.72973 |
240 | GJV | 0.45 | 0.702381 |
241 | NAJ PZO | 0.449612 | 0.8625 |
242 | 7C5 | 0.449153 | 0.857143 |
243 | NPW | 0.448 | 0.853659 |
244 | SA8 | 0.447619 | 0.722892 |
245 | ARU | 0.446429 | 0.785714 |
246 | MAO | 0.445545 | 0.732558 |
247 | 2NE | 0.444444 | 0.8 |
248 | HFD | 0.443396 | 0.860759 |
249 | JSQ | 0.443396 | 0.860759 |
250 | O02 | 0.443396 | 0.839506 |
251 | CUU | 0.442308 | 0.881579 |
252 | SMM | 0.440367 | 0.701149 |
253 | IMO | 0.44 | 0.891892 |
254 | 3AT | 0.439252 | 0.881579 |
255 | 649 | 0.439024 | 0.777778 |
256 | 0WD | 0.4375 | 0.886076 |
257 | NO7 | 0.436364 | 0.848101 |
258 | S4M | 0.435644 | 0.644444 |
259 | 6MZ | 0.435644 | 0.868421 |
260 | 8Q2 | 0.435484 | 0.786517 |
261 | EEM | 0.435185 | 0.705882 |
262 | OZP | 0.434426 | 0.765432 |
263 | N6P | 0.433628 | 0.878378 |
264 | 2AM | 0.43299 | 0.855263 |
265 | 38V | 0.432836 | 0.876543 |
266 | MHZ | 0.432692 | 0.674157 |
267 | 2SA | 0.431193 | 0.896104 |
268 | A3G | 0.43 | 0.769231 |
269 | DSH | 0.43 | 0.698795 |
270 | NEC | 0.43 | 0.717949 |
271 | SAI | 0.429907 | 0.75 |
272 | SAH | 0.429907 | 0.759494 |
273 | NA7 | 0.429825 | 0.871795 |
274 | A6D | 0.429825 | 0.717647 |
275 | NJP | 0.429688 | 0.934211 |
276 | 6FA | 0.429577 | 0.878049 |
277 | FB0 | 0.428571 | 0.758242 |
278 | V1N | 0.428571 | 0.932432 |
279 | 4TA | 0.426357 | 0.821429 |
280 | J4G | 0.426087 | 0.909091 |
281 | SAM | 0.425926 | 0.705882 |
282 | NAJ PYZ | 0.425373 | 0.821429 |
283 | 0UM | 0.424779 | 0.714286 |
284 | K3K | 0.423729 | 0.794872 |
285 | K2R | 0.422414 | 0.894737 |
286 | AAT | 0.422018 | 0.682353 |
287 | 62F | 0.421769 | 0.876543 |
288 | LQJ | 0.420168 | 0.906667 |
289 | OVE | 0.42 | 0.822785 |
290 | ODP | 0.418605 | 0.875 |
291 | AV2 | 0.418182 | 0.833333 |
292 | KXW | 0.418033 | 0.743902 |
293 | NAD BBN | 0.417808 | 0.855422 |
294 | K3E | 0.416667 | 0.78481 |
295 | GEK | 0.415929 | 0.753086 |
296 | AVV | 0.415929 | 0.839506 |
297 | DAT | 0.415094 | 0.822785 |
298 | S7M | 0.414414 | 0.705882 |
299 | NDP | 0.414062 | 0.886076 |
300 | DCA | 0.413534 | 0.775281 |
301 | F2N | 0.412903 | 0.806818 |
302 | DTP | 0.412844 | 0.822785 |
303 | NAD CJ3 | 0.412162 | 0.825581 |
304 | FNK | 0.412162 | 0.797753 |
305 | 5AD | 0.411111 | 0.716216 |
306 | ANZ | 0.409836 | 0.792683 |
307 | A3S | 0.409524 | 0.779221 |
308 | A7D | 0.409524 | 0.746835 |
309 | P5F | 0.409091 | 0.837209 |
310 | Z5A | 0.408759 | 0.793103 |
311 | 62X | 0.408696 | 0.681818 |
312 | AMZ | 0.408163 | 0.88 |
313 | C2R | 0.408163 | 0.893333 |
314 | KY2 | 0.40708 | 0.686047 |
315 | GGZ | 0.40708 | 0.77381 |
316 | KY5 | 0.40678 | 0.719512 |
317 | 7D7 | 0.406593 | 0.714286 |
318 | SLU | 0.406015 | 0.804598 |
319 | NA0 | 0.405797 | 0.921053 |
320 | 9JJ | 0.405229 | 0.9 |
321 | K15 | 0.405172 | 0.697674 |
322 | N37 | 0.404762 | 0.772152 |
323 | NHD | 0.40458 | 0.945946 |
324 | NWQ | 0.40404 | 0.710526 |
325 | 71V | 0.403846 | 0.82716 |
326 | 6C6 | 0.40367 | 0.825 |
327 | 6K6 | 0.403509 | 0.868421 |
328 | FDA | 0.402778 | 0.825581 |
329 | N5O | 0.401961 | 0.734177 |
330 | D5M | 0.401961 | 0.820513 |
331 | DA | 0.401961 | 0.820513 |
332 | A3T | 0.401869 | 0.789474 |
333 | F0P | 0.401575 | 0.765432 |
334 | NAP | 0.40146 | 0.933333 |
335 | 6IA | 0.4 | 0.785714 |
336 | TXP | 0.4 | 0.886076 |
337 | KYB | 0.4 | 0.686047 |
338 | NZQ | 0.4 | 0.875 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | DZ4 | 0.8842 |
This union binding pocket(no: 1) in the query (biounit: 5wm2.bio1) has 24 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 5wm2.bio1) has 26 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 6IJB | AMP | 39.8887 |