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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 1 families. | |||||
1 | 3DHV | - | DAL AMP | n/a | n/a |
2 | 3FCC | - | ATP | C10 H16 N5 O13 P3 | c1nc(c2c(n.... |
3 | 3FCE | - | ATP | C10 H16 N5 O13 P3 | c1nc(c2c(n.... |
4 | 3E7W | - | AMP | C10 H14 N5 O7 P | c1nc(c2c(n.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 1 families. | |||||
1 | 3DHV | - | DAL AMP | n/a | n/a |
2 | 3FCC | - | ATP | C10 H16 N5 O13 P3 | c1nc(c2c(n.... |
3 | 3FCE | - | ATP | C10 H16 N5 O13 P3 | c1nc(c2c(n.... |
4 | 3E7W | - | AMP | C10 H14 N5 O7 P | c1nc(c2c(n.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | DAL AMP | 1 | 1 |
2 | GAP | 0.77381 | 0.958904 |
3 | TYR AMP | 0.736842 | 0.933333 |
4 | ARG AMP | 0.721649 | 0.864198 |
5 | ADP MG | 0.702381 | 0.957747 |
6 | 5AL | 0.685393 | 0.972222 |
7 | MYR AMP | 0.677083 | 0.898734 |
8 | ADP PO3 | 0.670455 | 0.957747 |
9 | ATP MG | 0.670455 | 0.957747 |
10 | 8LH | 0.67033 | 0.945946 |
11 | A | 0.658537 | 0.90411 |
12 | AMP | 0.658537 | 0.90411 |
13 | 8LQ | 0.655914 | 0.945946 |
14 | CA0 | 0.655172 | 0.932432 |
15 | ABM | 0.654762 | 0.905405 |
16 | 45A | 0.654762 | 0.905405 |
17 | A2D | 0.654762 | 0.905405 |
18 | ADP VO4 | 0.652174 | 0.918919 |
19 | VO4 ADP | 0.652174 | 0.918919 |
20 | 8QN | 0.648936 | 0.972222 |
21 | KG4 | 0.647727 | 0.932432 |
22 | 4AD | 0.642105 | 0.933333 |
23 | ADP ALF | 0.641304 | 0.883117 |
24 | ALF ADP | 0.641304 | 0.883117 |
25 | AP2 | 0.639535 | 0.87013 |
26 | A12 | 0.639535 | 0.87013 |
27 | BA3 | 0.639535 | 0.905405 |
28 | SRP | 0.634409 | 0.92 |
29 | B4P | 0.632184 | 0.905405 |
30 | ADP | 0.632184 | 0.905405 |
31 | AP5 | 0.632184 | 0.905405 |
32 | 9ZA | 0.631579 | 0.921053 |
33 | 9ZD | 0.631579 | 0.921053 |
34 | 8LE | 0.630435 | 0.933333 |
35 | PAJ | 0.625 | 0.897436 |
36 | LPA AMP | 0.619048 | 0.875 |
37 | M33 | 0.617977 | 0.918919 |
38 | PTJ | 0.616162 | 0.909091 |
39 | AGS | 0.615385 | 0.858974 |
40 | APC MG | 0.615385 | 0.931507 |
41 | SAP | 0.615385 | 0.858974 |
42 | SRA | 0.611765 | 0.857143 |
43 | ATP | 0.611111 | 0.905405 |
44 | HEJ | 0.611111 | 0.905405 |
45 | 50T | 0.611111 | 0.868421 |
46 | AMO | 0.608247 | 0.92 |
47 | AN2 | 0.606742 | 0.893333 |
48 | SON | 0.606742 | 0.92 |
49 | AT4 | 0.606742 | 0.87013 |
50 | 5FA | 0.604396 | 0.905405 |
51 | PRX | 0.604396 | 0.881579 |
52 | APC | 0.604396 | 0.87013 |
53 | AQP | 0.604396 | 0.905405 |
54 | AR6 | 0.604396 | 0.931507 |
55 | APR | 0.604396 | 0.931507 |
56 | AU1 | 0.6 | 0.881579 |
57 | ADX | 0.6 | 0.817073 |
58 | TXA | 0.6 | 0.945946 |
59 | ME8 | 0.6 | 0.875 |
60 | RBY | 0.597826 | 0.894737 |
61 | AD9 | 0.597826 | 0.881579 |
62 | ADV | 0.597826 | 0.894737 |
63 | ADP BMA | 0.59596 | 0.932432 |
64 | ACP | 0.593407 | 0.881579 |
65 | A A | 0.59 | 0.905405 |
66 | LAD | 0.59 | 0.873418 |
67 | AMP DBH | 0.586538 | 0.906667 |
68 | NB8 | 0.584158 | 0.884615 |
69 | OOB | 0.581633 | 0.945205 |
70 | 9X8 | 0.58 | 0.907895 |
71 | OAD | 0.58 | 0.958904 |
72 | AHZ | 0.579439 | 0.898734 |
73 | AF3 ADP 3PG | 0.577982 | 0.897436 |
74 | 00A | 0.57 | 0.896104 |
75 | AHX | 0.57 | 0.860759 |
76 | DLL | 0.57 | 0.945205 |
77 | 1ZZ | 0.568627 | 0.875 |
78 | 3OD | 0.568627 | 0.958904 |
79 | ANP | 0.568421 | 0.881579 |
80 | T99 | 0.568421 | 0.87013 |
81 | TAT | 0.568421 | 0.87013 |
82 | ACQ | 0.568421 | 0.881579 |
83 | YAP | 0.567308 | 0.907895 |
84 | ATP A | 0.567308 | 0.944444 |
85 | FA5 | 0.567308 | 0.92 |
86 | ATP A A A | 0.567308 | 0.944444 |
87 | 5SV | 0.565657 | 0.8375 |
88 | 3UK | 0.564356 | 0.932432 |
89 | LMS | 0.563218 | 0.795181 |
90 | HQG | 0.561224 | 0.918919 |
91 | A1R | 0.56 | 0.848101 |
92 | PR8 | 0.558824 | 0.8625 |
93 | WAQ | 0.558824 | 0.896104 |
94 | B5V | 0.558824 | 0.92 |
95 | 9SN | 0.557692 | 0.884615 |
96 | A5A | 0.556701 | 0.819277 |
97 | ATF | 0.556701 | 0.87013 |
98 | AMP NAD | 0.556522 | 0.972222 |
99 | TSB | 0.555556 | 0.809524 |
100 | A22 | 0.555556 | 0.893333 |
101 | B5Y | 0.552381 | 0.933333 |
102 | B5M | 0.552381 | 0.933333 |
103 | 6YZ | 0.55102 | 0.881579 |
104 | AOC | 0.550562 | 0.810811 |
105 | NAQ | 0.55 | 0.909091 |
106 | LEU LMS | 0.54902 | 0.784091 |
107 | A3D | 0.547009 | 0.958904 |
108 | GA7 | 0.546296 | 0.87013 |
109 | AR6 AR6 | 0.546296 | 0.958333 |
110 | VMS | 0.545455 | 0.8 |
111 | YLP | 0.545455 | 0.853659 |
112 | 54H | 0.545455 | 0.8 |
113 | 48N | 0.545455 | 0.909091 |
114 | ADQ | 0.544554 | 0.906667 |
115 | A3R | 0.544554 | 0.848101 |
116 | 5AS | 0.543478 | 0.770115 |
117 | NAD | 0.543103 | 0.945205 |
118 | G5A | 0.541667 | 0.770115 |
119 | MAP | 0.54 | 0.858974 |
120 | NVA LMS | 0.539216 | 0.784091 |
121 | OZV | 0.534653 | 0.905405 |
122 | 25A | 0.534653 | 0.905405 |
123 | XAH | 0.53271 | 0.829268 |
124 | YLB | 0.530973 | 0.853659 |
125 | YLC | 0.530973 | 0.875 |
126 | XYA | 0.530864 | 0.808219 |
127 | ADN | 0.530864 | 0.808219 |
128 | RAB | 0.530864 | 0.808219 |
129 | 5CD | 0.53012 | 0.794521 |
130 | 52H | 0.53 | 0.790698 |
131 | LSS | 0.529412 | 0.772727 |
132 | NAJ PZO | 0.529412 | 0.884615 |
133 | NSS | 0.529412 | 0.790698 |
134 | NAE | 0.528926 | 0.933333 |
135 | 4UV | 0.527778 | 0.907895 |
136 | TAD | 0.527273 | 0.85 |
137 | DQV | 0.527273 | 0.918919 |
138 | AYB | 0.525862 | 0.843373 |
139 | 53H | 0.524752 | 0.790698 |
140 | JB6 | 0.52381 | 0.848101 |
141 | FYA | 0.52381 | 0.868421 |
142 | LAQ | 0.522523 | 0.851852 |
143 | TYM | 0.522124 | 0.92 |
144 | F2R | 0.521368 | 0.831325 |
145 | ZID | 0.520325 | 0.932432 |
146 | SSA | 0.52 | 0.770115 |
147 | 25L | 0.518868 | 0.893333 |
148 | 7MD | 0.518182 | 0.851852 |
149 | AFH | 0.518182 | 0.85 |
150 | 4UU | 0.518182 | 0.907895 |
151 | 5N5 | 0.518072 | 0.783784 |
152 | AP0 | 0.517544 | 0.860759 |
153 | YLA | 0.517241 | 0.831325 |
154 | 4TA | 0.516949 | 0.864198 |
155 | TXD | 0.513274 | 0.871795 |
156 | 4UW | 0.513274 | 0.897436 |
157 | NAI | 0.513274 | 0.871795 |
158 | NAJ PYZ | 0.512195 | 0.841463 |
159 | A4D | 0.511905 | 0.783784 |
160 | EP4 | 0.511628 | 0.766234 |
161 | H1Q | 0.510417 | 0.891892 |
162 | 5CA | 0.509804 | 0.770115 |
163 | BIS | 0.509434 | 0.848101 |
164 | 9K8 | 0.509434 | 0.764045 |
165 | OMR | 0.508772 | 0.864198 |
166 | TXE | 0.508772 | 0.871795 |
167 | M2T | 0.505747 | 0.769231 |
168 | DTA | 0.505747 | 0.776316 |
169 | 3DH | 0.505618 | 0.786667 |
170 | 7MC | 0.504348 | 0.853659 |
171 | COD | 0.504202 | 0.802326 |
172 | MTA | 0.5 | 0.786667 |
173 | DND | 0.5 | 0.945946 |
174 | DSZ | 0.5 | 0.790698 |
175 | NAX | 0.5 | 0.839506 |
176 | NXX | 0.5 | 0.945946 |
177 | 6V0 | 0.5 | 0.860759 |
178 | GTA | 0.5 | 0.875 |
179 | P5A | 0.5 | 0.736264 |
180 | NDE | 0.496124 | 0.92 |
181 | IOT | 0.495726 | 0.821429 |
182 | G3A | 0.495495 | 0.860759 |
183 | 8X1 | 0.495146 | 0.744444 |
184 | 5X8 | 0.494845 | 0.8 |
185 | SFG | 0.494845 | 0.786667 |
186 | U A | 0.491803 | 0.896104 |
187 | G A A A | 0.491667 | 0.884615 |
188 | T5A | 0.491525 | 0.831325 |
189 | G5P | 0.491071 | 0.860759 |
190 | SMM | 0.490196 | 0.759036 |
191 | SAM | 0.49 | 0.765432 |
192 | 6RE | 0.48913 | 0.75 |
193 | NDC | 0.48855 | 0.884615 |
194 | CNA | 0.487395 | 0.92 |
195 | GSU | 0.485981 | 0.790698 |
196 | KAA | 0.485981 | 0.744444 |
197 | EEM | 0.485149 | 0.765432 |
198 | SA8 | 0.484848 | 0.7625 |
199 | A3P | 0.484211 | 0.90411 |
200 | N0B | 0.484127 | 0.831325 |
201 | YLY | 0.483871 | 0.843373 |
202 | 80F | 0.483607 | 0.831325 |
203 | A G | 0.479339 | 0.896104 |
204 | J7C | 0.478723 | 0.7375 |
205 | 7D5 | 0.477778 | 0.818182 |
206 | YSA | 0.477477 | 0.770115 |
207 | PO4 PO4 A A A A PO4 | 0.476636 | 0.916667 |
208 | GEK | 0.47619 | 0.794872 |
209 | U A G G | 0.47541 | 0.896104 |
210 | A4P | 0.474576 | 0.790698 |
211 | UP5 | 0.474138 | 0.883117 |
212 | S4M | 0.473684 | 0.697674 |
213 | M24 | 0.472 | 0.8625 |
214 | PAP | 0.47 | 0.891892 |
215 | 7C5 | 0.469027 | 0.831169 |
216 | Z5A | 0.46875 | 0.833333 |
217 | A2P | 0.46875 | 0.890411 |
218 | MAO | 0.46875 | 0.75 |
219 | 8PZ | 0.468468 | 0.770115 |
220 | NEC | 0.468085 | 0.76 |
221 | 3AM | 0.467391 | 0.864865 |
222 | ADJ | 0.466667 | 0.819277 |
223 | 139 | 0.466667 | 0.839506 |
224 | SAI | 0.465347 | 0.769231 |
225 | SAH | 0.465347 | 0.779221 |
226 | A3T | 0.464646 | 0.835616 |
227 | B1U | 0.464286 | 0.747253 |
228 | DZD | 0.463415 | 0.85 |
229 | BT5 | 0.463415 | 0.821429 |
230 | A3N | 0.463158 | 0.753247 |
231 | A A A | 0.462963 | 0.918919 |
232 | ZAS | 0.462366 | 0.779221 |
233 | S7M | 0.461538 | 0.765432 |
234 | 2A5 | 0.46 | 0.833333 |
235 | GJV | 0.458333 | 0.740741 |
236 | 6MZ | 0.458333 | 0.891892 |
237 | 7D3 | 0.458333 | 0.820513 |
238 | NVA 2AD | 0.455446 | 0.794872 |
239 | ATR | 0.455446 | 0.878378 |
240 | NMN AMP PO4 | 0.455285 | 0.907895 |
241 | 7D4 | 0.454545 | 0.820513 |
242 | EAD | 0.453846 | 0.8625 |
243 | UPA | 0.453782 | 0.871795 |
244 | 4TC | 0.453782 | 0.860759 |
245 | A3G | 0.452632 | 0.789474 |
246 | DSH | 0.452632 | 0.716049 |
247 | 5AD | 0.452381 | 0.760563 |
248 | P1H | 0.451128 | 0.841463 |
249 | A U | 0.45 | 0.907895 |
250 | IMO | 0.447917 | 0.864865 |
251 | 6IA | 0.446602 | 0.804878 |
252 | V3L | 0.446602 | 0.931507 |
253 | J4G | 0.445455 | 0.907895 |
254 | WSA | 0.445378 | 0.77907 |
255 | N01 | 0.444444 | 0.972222 |
256 | A7D | 0.444444 | 0.766234 |
257 | A3S | 0.444444 | 0.8 |
258 | 0UM | 0.444444 | 0.753086 |
259 | FB0 | 0.444444 | 0.775281 |
260 | BTX | 0.443548 | 0.809524 |
261 | A2R | 0.443396 | 0.918919 |
262 | 6AD | 0.442308 | 0.85 |
263 | PPS | 0.442308 | 0.795181 |
264 | COA FLC | 0.44186 | 0.823529 |
265 | SXZ | 0.441441 | 0.765432 |
266 | A5D | 0.441176 | 0.776316 |
267 | 2AM | 0.44086 | 0.853333 |
268 | 62X | 0.440367 | 0.717647 |
269 | ITT | 0.44 | 0.853333 |
270 | MHZ | 0.44 | 0.689655 |
271 | 2SA | 0.438095 | 0.894737 |
272 | K15 | 0.436364 | 0.73494 |
273 | 4YB | 0.435897 | 0.772727 |
274 | 2VA | 0.435644 | 0.813333 |
275 | CNV FAD | 0.434483 | 0.833333 |
276 | A C A C | 0.433071 | 0.884615 |
277 | Y3J | 0.431818 | 0.716216 |
278 | NA0 | 0.431818 | 0.945946 |
279 | 7D7 | 0.430233 | 0.733333 |
280 | 8Q2 | 0.429752 | 0.744444 |
281 | KOY | 0.428571 | 0.84 |
282 | NAP | 0.427481 | 0.932432 |
283 | OVE | 0.427083 | 0.820513 |
284 | AV2 | 0.424528 | 0.831169 |
285 | JSQ | 0.423077 | 0.858974 |
286 | SO8 | 0.423077 | 0.802632 |
287 | HFD | 0.423077 | 0.858974 |
288 | N5O | 0.42268 | 0.753247 |
289 | U A C C | 0.421875 | 0.896104 |
290 | FAD NBT | 0.421769 | 0.76087 |
291 | 649 | 0.421488 | 0.736264 |
292 | NHD | 0.420635 | 0.918919 |
293 | FNK | 0.416667 | 0.775281 |
294 | AAT | 0.415094 | 0.698795 |
295 | C2R | 0.414894 | 0.866667 |
296 | AMZ | 0.414894 | 0.853333 |
297 | ARU | 0.414414 | 0.804878 |
298 | N5A | 0.414141 | 0.727273 |
299 | TAP | 0.413534 | 0.871795 |
300 | NJP | 0.412698 | 0.907895 |
301 | KB1 | 0.412281 | 0.731707 |
302 | PGS | 0.411765 | 0.825 |
303 | NA7 | 0.410714 | 0.87013 |
304 | A6D | 0.410714 | 0.73494 |
305 | U A A U | 0.410448 | 0.896104 |
306 | 71V | 0.41 | 0.825 |
307 | 6C6 | 0.409524 | 0.822785 |
308 | VRT | 0.409524 | 0.782051 |
309 | 0WD | 0.409449 | 0.860759 |
310 | DAT | 0.407767 | 0.820513 |
311 | DCA | 0.407692 | 0.793103 |
312 | ETB | 0.407692 | 0.802326 |
313 | FAD NBA | 0.407643 | 0.736842 |
314 | FDA | 0.407143 | 0.802326 |
315 | ENQ | 0.40708 | 0.930556 |
316 | 3NZ | 0.40708 | 0.794872 |
317 | NIA | 0.40625 | 0.790123 |
318 | DTP | 0.40566 | 0.820513 |
319 | 3AT | 0.40566 | 0.88 |
320 | 6FA | 0.404255 | 0.831325 |
321 | NO7 | 0.40367 | 0.846154 |
322 | NFD | 0.403101 | 0.896104 |
323 | COA | 0.401515 | 0.793103 |
324 | 0T1 | 0.401515 | 0.793103 |
325 | FAD CNX | 0.401316 | 0.736842 |
326 | KH3 | 0.4 | 0.72619 |
327 | APC G U | 0.4 | 0.848101 |
328 | D3Y | 0.4 | 0.779221 |