- 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 1 families. | |||||
1 | 5OE6 | - | 9SN | C17 H18 F N6 O8 P | c1cc(c(c(c.... |
2 | 5OE4 | - | 3UK | C17 H19 N6 O8 P | c1ccc(c(c1.... |
3 | 5OE5 | - | 3UK | C17 H19 N6 O8 P | c1ccc(c(c1.... |
4 | 5OE3 | - | 3UK | C17 H19 N6 O8 P | c1ccc(c(c1.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 1 families. | |||||
1 | 5OE6 | - | 9SN | C17 H18 F N6 O8 P | c1cc(c(c(c.... |
2 | 5OE4 | - | 3UK | C17 H19 N6 O8 P | c1ccc(c(c1.... |
3 | 5OE5 | - | 3UK | C17 H19 N6 O8 P | c1ccc(c(c1.... |
4 | 5OE3 | - | 3UK | C17 H19 N6 O8 P | c1ccc(c(c1.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | 3UK | 1 | 1 |
2 | B5V | 0.811111 | 0.986301 |
3 | OOB | 0.747253 | 0.986111 |
4 | 9SN | 0.729167 | 0.947368 |
5 | CA0 | 0.72093 | 0.945946 |
6 | KG4 | 0.712644 | 0.945946 |
7 | B5Y | 0.704082 | 0.972973 |
8 | 00A | 0.694737 | 0.934211 |
9 | 8LE | 0.692308 | 0.921053 |
10 | B5M | 0.686869 | 0.972973 |
11 | A2D | 0.682353 | 0.945205 |
12 | DLL | 0.677083 | 0.986111 |
13 | 5AL | 0.673913 | 0.958904 |
14 | BA3 | 0.666667 | 0.945205 |
15 | 8LQ | 0.663158 | 0.933333 |
16 | SRP | 0.659574 | 0.933333 |
17 | 8LH | 0.659574 | 0.933333 |
18 | AP5 | 0.659091 | 0.945205 |
19 | B4P | 0.659091 | 0.945205 |
20 | ADP | 0.659091 | 0.918919 |
21 | AN2 | 0.651685 | 0.906667 |
22 | AT4 | 0.651685 | 0.883117 |
23 | AMP | 0.647059 | 0.917808 |
24 | A | 0.647059 | 0.917808 |
25 | PR8 | 0.646465 | 0.875 |
26 | LAD | 0.646465 | 0.886076 |
27 | QA7 | 0.645833 | 0.921053 |
28 | M33 | 0.644444 | 0.906667 |
29 | ADX | 0.644444 | 0.829268 |
30 | AD9 | 0.641304 | 0.894737 |
31 | 8QN | 0.639175 | 0.958904 |
32 | 50T | 0.637363 | 0.881579 |
33 | ATP | 0.637363 | 0.918919 |
34 | ACP | 0.637363 | 0.894737 |
35 | HEJ | 0.637363 | 0.918919 |
36 | FA5 | 0.637255 | 0.959459 |
37 | 4AD | 0.632653 | 0.921053 |
38 | AMO | 0.632653 | 0.933333 |
39 | PAJ | 0.632653 | 0.886076 |
40 | PRX | 0.630435 | 0.87013 |
41 | AR6 | 0.630435 | 0.945205 |
42 | 5FA | 0.630435 | 0.918919 |
43 | APR | 0.630435 | 0.945205 |
44 | AQP | 0.630435 | 0.918919 |
45 | WAQ | 0.63 | 0.909091 |
46 | 45A | 0.625 | 0.893333 |
47 | ABM | 0.625 | 0.893333 |
48 | ME8 | 0.623762 | 0.864198 |
49 | 1ZZ | 0.623762 | 0.864198 |
50 | AGS | 0.623656 | 0.871795 |
51 | AMP MG | 0.62069 | 0.90411 |
52 | AP2 | 0.611111 | 0.883117 |
53 | A12 | 0.611111 | 0.883117 |
54 | ACQ | 0.610526 | 0.894737 |
55 | ANP | 0.610526 | 0.894737 |
56 | TXA | 0.607843 | 0.933333 |
57 | PTJ | 0.607843 | 0.897436 |
58 | NB8 | 0.607843 | 0.897436 |
59 | SRA | 0.602273 | 0.87013 |
60 | ADQ | 0.6 | 0.945946 |
61 | ATF | 0.597938 | 0.883117 |
62 | 4UV | 0.59434 | 0.946667 |
63 | AHX | 0.594059 | 0.873418 |
64 | GAP | 0.59375 | 0.92 |
65 | FYA | 0.592233 | 0.906667 |
66 | 6YZ | 0.591837 | 0.894737 |
67 | AU1 | 0.591398 | 0.894737 |
68 | OZV | 0.59 | 0.918919 |
69 | OAD | 0.588235 | 0.945946 |
70 | V2G | 0.587629 | 0.897436 |
71 | LAQ | 0.587156 | 0.864198 |
72 | HQG | 0.585859 | 0.932432 |
73 | TYM | 0.585586 | 0.959459 |
74 | A3R | 0.584158 | 0.860759 |
75 | ADP BEF | 0.580645 | 0.917808 |
76 | ADP MG | 0.580645 | 0.917808 |
77 | SON | 0.580645 | 0.933333 |
78 | A22 | 0.58 | 0.932432 |
79 | M24 | 0.579832 | 0.923077 |
80 | APC | 0.578947 | 0.883117 |
81 | DQV | 0.577982 | 0.958904 |
82 | T99 | 0.57732 | 0.883117 |
83 | TAT | 0.57732 | 0.883117 |
84 | 3OD | 0.576923 | 0.945946 |
85 | 5SV | 0.574257 | 0.82716 |
86 | 25A | 0.574257 | 0.945205 |
87 | RBY | 0.572917 | 0.907895 |
88 | ADV | 0.572917 | 0.907895 |
89 | 9X8 | 0.572816 | 0.896104 |
90 | XAH | 0.570093 | 0.841463 |
91 | 4UU | 0.568807 | 0.946667 |
92 | A1R | 0.568627 | 0.860759 |
93 | YLP | 0.567568 | 0.843373 |
94 | DAL AMP | 0.564356 | 0.932432 |
95 | JNT | 0.563107 | 0.894737 |
96 | NAX | 0.5625 | 0.875 |
97 | QXP | 0.558824 | 0.788235 |
98 | 9ZD | 0.558824 | 0.909091 |
99 | 9ZA | 0.558824 | 0.909091 |
100 | APC MG | 0.556701 | 0.893333 |
101 | ATP MG | 0.556701 | 0.917808 |
102 | ADP PO3 | 0.556701 | 0.917808 |
103 | IOT | 0.556522 | 0.833333 |
104 | YLC | 0.552632 | 0.864198 |
105 | YLB | 0.552632 | 0.843373 |
106 | BEF ADP | 0.55102 | 0.893333 |
107 | DND | 0.548673 | 0.959459 |
108 | 4UW | 0.548673 | 0.910256 |
109 | BIS | 0.54717 | 0.860759 |
110 | 25L | 0.542056 | 0.932432 |
111 | LMS | 0.538462 | 0.807229 |
112 | YLA | 0.538462 | 0.843373 |
113 | GTA | 0.535714 | 0.8875 |
114 | NAI | 0.535088 | 0.909091 |
115 | VO4 ADP | 0.534653 | 0.894737 |
116 | ALF ADP | 0.534653 | 0.848101 |
117 | ANP MG | 0.534653 | 0.906667 |
118 | MAP | 0.533981 | 0.871795 |
119 | AYB | 0.533898 | 0.833333 |
120 | KMQ | 0.53211 | 0.907895 |
121 | G3A | 0.531532 | 0.922078 |
122 | TXE | 0.530435 | 0.909091 |
123 | MYR AMP | 0.527778 | 0.841463 |
124 | B1U | 0.527273 | 0.777778 |
125 | AOC | 0.526882 | 0.8 |
126 | GA7 | 0.526786 | 0.883117 |
127 | G5P | 0.526786 | 0.922078 |
128 | AFH | 0.526786 | 0.886076 |
129 | 48N | 0.526316 | 0.897436 |
130 | L3W | 0.525862 | 0.907895 |
131 | AMP DBH | 0.522523 | 0.92 |
132 | 4YB | 0.522124 | 0.825581 |
133 | TXD | 0.521739 | 0.909091 |
134 | 6V0 | 0.521739 | 0.897436 |
135 | CNA | 0.521008 | 0.933333 |
136 | 5AS | 0.520833 | 0.761364 |
137 | BT5 | 0.520661 | 0.833333 |
138 | G5A | 0.52 | 0.781609 |
139 | OMR | 0.517241 | 0.853659 |
140 | YLY | 0.516129 | 0.833333 |
141 | SSA | 0.514563 | 0.781609 |
142 | ADP BMA | 0.514019 | 0.92 |
143 | KOY | 0.513043 | 0.878378 |
144 | NAD | 0.512397 | 0.958904 |
145 | D4F | 0.512 | 0.8875 |
146 | RAB | 0.505882 | 0.797297 |
147 | XYA | 0.505882 | 0.797297 |
148 | ADN | 0.505882 | 0.797297 |
149 | 5CD | 0.505747 | 0.783784 |
150 | A5A | 0.504854 | 0.809524 |
151 | TSB | 0.504762 | 0.8 |
152 | 9K8 | 0.504587 | 0.775281 |
153 | A3D | 0.504065 | 0.945946 |
154 | N0B | 0.503937 | 0.865854 |
155 | ARG AMP | 0.5 | 0.831325 |
156 | DTA | 0.5 | 0.789474 |
157 | T5A | 0.5 | 0.843373 |
158 | LPA AMP | 0.5 | 0.841463 |
159 | DZD | 0.495935 | 0.886076 |
160 | A4P | 0.495798 | 0.823529 |
161 | UP5 | 0.495726 | 0.921053 |
162 | TAD | 0.495652 | 0.8625 |
163 | 52H | 0.495238 | 0.781609 |
164 | 54H | 0.495238 | 0.790698 |
165 | VMS | 0.495238 | 0.790698 |
166 | PAP | 0.49505 | 0.905405 |
167 | A3P | 0.494845 | 0.917808 |
168 | 5N5 | 0.494253 | 0.773333 |
169 | ZID | 0.492188 | 0.972603 |
170 | F2R | 0.491803 | 0.843373 |
171 | ALF ADP 3PG | 0.491525 | 0.8625 |
172 | AHZ | 0.491379 | 0.864198 |
173 | ATP A | 0.491071 | 0.931507 |
174 | ATP A A A | 0.491071 | 0.931507 |
175 | 8PZ | 0.491071 | 0.802326 |
176 | JB6 | 0.490909 | 0.884615 |
177 | NVA LMS | 0.490741 | 0.755556 |
178 | 8X1 | 0.490566 | 0.755556 |
179 | 5CA | 0.490566 | 0.781609 |
180 | 53H | 0.490566 | 0.781609 |
181 | A4D | 0.488636 | 0.773333 |
182 | NAE | 0.488189 | 0.946667 |
183 | AMP NAD | 0.487805 | 0.958904 |
184 | COD | 0.487805 | 0.793103 |
185 | 139 | 0.487603 | 0.875 |
186 | UPA | 0.487395 | 0.909091 |
187 | 4TC | 0.487395 | 0.897436 |
188 | AP0 | 0.487395 | 0.873418 |
189 | NAD TDB | 0.487395 | 0.945205 |
190 | NAD IBO | 0.487395 | 0.945205 |
191 | 7MD | 0.486957 | 0.864198 |
192 | 2A5 | 0.485149 | 0.846154 |
193 | NAQ | 0.484375 | 0.922078 |
194 | KAA | 0.481818 | 0.755556 |
195 | P5A | 0.481818 | 0.747253 |
196 | NSS | 0.481481 | 0.781609 |
197 | LSS | 0.481481 | 0.764045 |
198 | DSZ | 0.481481 | 0.802326 |
199 | PPS | 0.480769 | 0.807229 |
200 | ATR | 0.480392 | 0.891892 |
201 | A5D | 0.480392 | 0.789474 |
202 | 80F | 0.48 | 0.865854 |
203 | 3AM | 0.478723 | 0.878378 |
204 | ADJ | 0.47541 | 0.853659 |
205 | H1Q | 0.475248 | 0.88 |
206 | J7C | 0.474227 | 0.728395 |
207 | AR6 AR6 | 0.474138 | 0.945205 |
208 | YSA | 0.473684 | 0.802326 |
209 | 7D5 | 0.473118 | 0.831169 |
210 | LEU LMS | 0.472727 | 0.752809 |
211 | EP4 | 0.472527 | 0.734177 |
212 | 7D3 | 0.469388 | 0.833333 |
213 | 6RE | 0.46875 | 0.719512 |
214 | GSU | 0.468468 | 0.802326 |
215 | 3DH | 0.468085 | 0.753247 |
216 | M2T | 0.467391 | 0.716049 |
217 | A2R | 0.46729 | 0.932432 |
218 | AF3 ADP 3PG | 0.466667 | 0.8625 |
219 | WSA | 0.466667 | 0.811765 |
220 | 6AD | 0.466667 | 0.839506 |
221 | 7D4 | 0.465347 | 0.833333 |
222 | ITT | 0.465347 | 0.866667 |
223 | A2P | 0.464646 | 0.90411 |
224 | NAJ PZO | 0.464567 | 0.873418 |
225 | BTX | 0.464 | 0.821429 |
226 | NDC | 0.463235 | 0.922078 |
227 | 7MC | 0.46281 | 0.843373 |
228 | MTA | 0.462366 | 0.753247 |
229 | EAD | 0.462121 | 0.875 |
230 | 5X8 | 0.460784 | 0.789474 |
231 | QXG | 0.459459 | 0.77907 |
232 | NDE | 0.459259 | 0.959459 |
233 | V47 | 0.457944 | 0.835616 |
234 | V3L | 0.457143 | 0.945205 |
235 | NWW | 0.455556 | 0.739726 |
236 | 649 | 0.454545 | 0.766667 |
237 | SA8 | 0.451923 | 0.731707 |
238 | MAO | 0.45 | 0.741176 |
239 | P1H | 0.448529 | 0.853659 |
240 | HFD | 0.447619 | 0.871795 |
241 | JSQ | 0.447619 | 0.871795 |
242 | SFG | 0.446602 | 0.776316 |
243 | A6D | 0.446429 | 0.72619 |
244 | SMM | 0.444444 | 0.709302 |
245 | IMO | 0.444444 | 0.878378 |
246 | A3N | 0.444444 | 0.74359 |
247 | ZAS | 0.443299 | 0.746835 |
248 | R2V | 0.442478 | 0.767442 |
249 | FB0 | 0.442029 | 0.766667 |
250 | 0WD | 0.440945 | 0.897436 |
251 | 7C5 | 0.440678 | 0.868421 |
252 | 6MZ | 0.44 | 0.88 |
253 | GJV | 0.44 | 0.710843 |
254 | S4M | 0.44 | 0.651685 |
255 | NPW | 0.44 | 0.864198 |
256 | COW | 0.439716 | 0.797753 |
257 | NAJ PYZ | 0.439394 | 0.831325 |
258 | EEM | 0.439252 | 0.714286 |
259 | 2AM | 0.4375 | 0.866667 |
260 | ARU | 0.4375 | 0.795181 |
261 | N6P | 0.4375 | 0.890411 |
262 | 38V | 0.43609 | 0.8875 |
263 | NEC | 0.434343 | 0.727273 |
264 | A3G | 0.434343 | 0.779221 |
265 | DSH | 0.434343 | 0.707317 |
266 | O02 | 0.433962 | 0.85 |
267 | SAH | 0.433962 | 0.769231 |
268 | SAI | 0.433962 | 0.759494 |
269 | NA7 | 0.433628 | 0.883117 |
270 | CUU | 0.432692 | 0.893333 |
271 | V1N | 0.432203 | 0.945205 |
272 | SAM | 0.429907 | 0.714286 |
273 | 3AT | 0.429907 | 0.893333 |
274 | J4G | 0.429825 | 0.921053 |
275 | 4TA | 0.429688 | 0.831325 |
276 | 8Q2 | 0.427419 | 0.775281 |
277 | K3K | 0.42735 | 0.805195 |
278 | NO7 | 0.427273 | 0.858974 |
279 | OZP | 0.42623 | 0.775 |
280 | K2R | 0.426087 | 0.906667 |
281 | AAT | 0.425926 | 0.690476 |
282 | OVE | 0.424242 | 0.833333 |
283 | LQJ | 0.423729 | 0.918919 |
284 | MHZ | 0.423077 | 0.681818 |
285 | NWQ | 0.42268 | 0.72 |
286 | AV2 | 0.422018 | 0.844156 |
287 | 2SA | 0.422018 | 0.907895 |
288 | ODP | 0.421875 | 0.886076 |
289 | NJP | 0.421875 | 0.921053 |
290 | KXW | 0.421488 | 0.753086 |
291 | K3E | 0.420168 | 0.794872 |
292 | AVV | 0.419643 | 0.85 |
293 | DAT | 0.419048 | 0.833333 |
294 | S7M | 0.418182 | 0.714286 |
295 | NDP | 0.417323 | 0.897436 |
296 | DCA | 0.416667 | 0.784091 |
297 | DTP | 0.416667 | 0.833333 |
298 | 0UM | 0.415929 | 0.722892 |
299 | 5AD | 0.41573 | 0.726027 |
300 | F2N | 0.415584 | 0.816092 |
301 | FNK | 0.414966 | 0.806818 |
302 | A3S | 0.413462 | 0.789474 |
303 | A7D | 0.413462 | 0.75641 |
304 | 6FA | 0.412587 | 0.865854 |
305 | C2R | 0.412371 | 0.905405 |
306 | AMZ | 0.412371 | 0.891892 |
307 | 62X | 0.412281 | 0.689655 |
308 | NAD BBN | 0.410959 | 0.865854 |
309 | KY2 | 0.410714 | 0.694118 |
310 | GGZ | 0.410714 | 0.783133 |
311 | KY5 | 0.410256 | 0.728395 |
312 | PGS | 0.409524 | 0.814815 |
313 | SLU | 0.409091 | 0.793103 |
314 | K15 | 0.408696 | 0.705882 |
315 | 9JJ | 0.407895 | 0.8875 |
316 | 71V | 0.407767 | 0.8375 |
317 | XNP | 0.407692 | 0.851852 |
318 | 6C6 | 0.407407 | 0.835443 |
319 | 6K6 | 0.40708 | 0.88 |
320 | GEK | 0.40708 | 0.7625 |
321 | N5O | 0.405941 | 0.74359 |
322 | DA | 0.405941 | 0.831169 |
323 | D5M | 0.405941 | 0.831169 |
324 | A3T | 0.40566 | 0.8 |
325 | FDA | 0.405594 | 0.835294 |
326 | NAD CJ3 | 0.405405 | 0.835294 |
327 | F0P | 0.404762 | 0.775 |
328 | NAP | 0.404412 | 0.945946 |
329 | 6IA | 0.40367 | 0.795181 |
330 | KYB | 0.403509 | 0.694118 |
331 | NZQ | 0.403101 | 0.886076 |
332 | TXP | 0.403101 | 0.897436 |
333 | P5F | 0.402597 | 0.847059 |
334 | Z5A | 0.40146 | 0.802326 |
335 | KYE | 0.4 | 0.717647 |
336 | 7DD | 0.4 | 0.905405 |
No: | Ligand | Similarity coefficient |
---|