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No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 271 families. | |||||
1 | 4OXI | - | GAP | C12 H17 N6 O8 P | c1nc(c2c(n.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 223 families. | |||||
1 | 4OXI | - | GAP | C12 H17 N6 O8 P | c1nc(c2c(n.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | GAP | 1 | 1 |
2 | DAL AMP | 0.77381 | 0.958904 |
3 | ADP BEF | 0.746835 | 0.944444 |
4 | ADP MG | 0.746835 | 0.944444 |
5 | AMP MG | 0.736842 | 0.930556 |
6 | MYR AMP | 0.733333 | 0.864198 |
7 | ATP MG | 0.710843 | 0.944444 |
8 | ADP PO3 | 0.710843 | 0.944444 |
9 | BEF ADP | 0.702381 | 0.918919 |
10 | A | 0.701299 | 0.891892 |
11 | AMP | 0.701299 | 0.891892 |
12 | ALF ADP | 0.697674 | 0.871795 |
13 | CA0 | 0.695122 | 0.92 |
14 | KG4 | 0.686747 | 0.92 |
15 | LPA AMP | 0.683673 | 0.864198 |
16 | AP2 | 0.679012 | 0.858974 |
17 | A12 | 0.679012 | 0.858974 |
18 | VO4 ADP | 0.678161 | 0.894737 |
19 | ANP MG | 0.678161 | 0.906667 |
20 | ABM | 0.675 | 0.868421 |
21 | A2D | 0.675 | 0.893333 |
22 | 45A | 0.675 | 0.868421 |
23 | ADP | 0.670732 | 0.893333 |
24 | ARG AMP | 0.670103 | 0.9 |
25 | BA3 | 0.658537 | 0.893333 |
26 | APC MG | 0.651163 | 0.918919 |
27 | AP5 | 0.650602 | 0.893333 |
28 | B4P | 0.650602 | 0.893333 |
29 | SRA | 0.65 | 0.846154 |
30 | 8LE | 0.647727 | 0.896104 |
31 | 5AL | 0.647727 | 0.932432 |
32 | 50T | 0.647059 | 0.857143 |
33 | AT4 | 0.642857 | 0.858974 |
34 | SON | 0.642857 | 0.907895 |
35 | AN2 | 0.642857 | 0.881579 |
36 | APC | 0.639535 | 0.858974 |
37 | 8LQ | 0.637363 | 0.907895 |
38 | ADX | 0.635294 | 0.807229 |
39 | AU1 | 0.635294 | 0.87013 |
40 | M33 | 0.635294 | 0.881579 |
41 | 8LH | 0.633333 | 0.933333 |
42 | SRP | 0.633333 | 0.933333 |
43 | ADV | 0.632184 | 0.883117 |
44 | RBY | 0.632184 | 0.883117 |
45 | V2G | 0.629214 | 0.922078 |
46 | ACP | 0.627907 | 0.87013 |
47 | HEJ | 0.627907 | 0.893333 |
48 | ATP | 0.627907 | 0.893333 |
49 | ADP BMA | 0.62766 | 0.945946 |
50 | 4AD | 0.623656 | 0.921053 |
51 | PAJ | 0.623656 | 0.886076 |
52 | AR6 | 0.62069 | 0.918919 |
53 | PRX | 0.62069 | 0.846154 |
54 | APR | 0.62069 | 0.918919 |
55 | AQP | 0.62069 | 0.893333 |
56 | 5FA | 0.62069 | 0.893333 |
57 | QA7 | 0.619565 | 0.896104 |
58 | DLL | 0.617021 | 0.932432 |
59 | AD9 | 0.613636 | 0.87013 |
60 | AGS | 0.613636 | 0.848101 |
61 | 9ZA | 0.612903 | 0.884615 |
62 | 8QN | 0.612903 | 0.932432 |
63 | OOB | 0.612903 | 0.932432 |
64 | 9ZD | 0.612903 | 0.884615 |
65 | ATP A | 0.612245 | 0.931507 |
66 | ATP A A A | 0.612245 | 0.931507 |
67 | AMO | 0.606383 | 0.907895 |
68 | WAQ | 0.604167 | 0.884615 |
69 | ANP | 0.6 | 0.87013 |
70 | TAT | 0.6 | 0.858974 |
71 | ACQ | 0.6 | 0.87013 |
72 | 00A | 0.6 | 0.884615 |
73 | T99 | 0.6 | 0.858974 |
74 | PTJ | 0.597938 | 0.873418 |
75 | ME8 | 0.597938 | 0.841463 |
76 | 1ZZ | 0.597938 | 0.841463 |
77 | LMS | 0.597561 | 0.785714 |
78 | AMP NAD | 0.59633 | 0.958904 |
79 | 3UK | 0.59375 | 0.92 |
80 | OAD | 0.59375 | 0.92 |
81 | AHZ | 0.592233 | 0.864198 |
82 | ALF ADP 3PG | 0.590476 | 0.886076 |
83 | B5V | 0.587629 | 0.907895 |
84 | PR8 | 0.587629 | 0.898734 |
85 | LAD | 0.587629 | 0.910256 |
86 | ATF | 0.586957 | 0.858974 |
87 | 9SN | 0.585859 | 0.873418 |
88 | NAD IBO | 0.584906 | 0.945205 |
89 | NAD TDB | 0.584906 | 0.945205 |
90 | AMP DBH | 0.584158 | 0.894737 |
91 | AHX | 0.583333 | 0.873418 |
92 | TXA | 0.581633 | 0.907895 |
93 | NB8 | 0.581633 | 0.873418 |
94 | 6YZ | 0.580645 | 0.87013 |
95 | 5SV | 0.578947 | 0.804878 |
96 | 9X8 | 0.57732 | 0.871795 |
97 | AF3 ADP 3PG | 0.575472 | 0.886076 |
98 | HQG | 0.574468 | 0.906667 |
99 | AR6 AR6 | 0.572816 | 0.945205 |
100 | G5A | 0.571429 | 0.802326 |
101 | 4UV | 0.568627 | 0.896104 |
102 | MAP | 0.568421 | 0.848101 |
103 | A22 | 0.568421 | 0.881579 |
104 | ADN | 0.565789 | 0.821918 |
105 | XYA | 0.565789 | 0.821918 |
106 | RAB | 0.565789 | 0.821918 |
107 | 3OD | 0.565657 | 0.92 |
108 | AOC | 0.564706 | 0.8 |
109 | FA5 | 0.564356 | 0.907895 |
110 | B5M | 0.564356 | 0.896104 |
111 | B5Y | 0.564356 | 0.896104 |
112 | 5CD | 0.564103 | 0.783784 |
113 | 25A | 0.5625 | 0.893333 |
114 | OZV | 0.5625 | 0.893333 |
115 | LAQ | 0.561905 | 0.841463 |
116 | 4UU | 0.557692 | 0.896104 |
117 | 5AS | 0.556818 | 0.781609 |
118 | A3R | 0.556701 | 0.884615 |
119 | A1R | 0.556701 | 0.884615 |
120 | ADQ | 0.556701 | 0.92 |
121 | NAD | 0.553571 | 0.932432 |
122 | 5N5 | 0.551282 | 0.821918 |
123 | JNT | 0.55102 | 0.894737 |
124 | A4D | 0.544304 | 0.797297 |
125 | A3D | 0.54386 | 0.92 |
126 | XAH | 0.543689 | 0.864198 |
127 | H1Q | 0.538462 | 0.88 |
128 | TAD | 0.537736 | 0.839506 |
129 | DND | 0.537037 | 0.933333 |
130 | 4UW | 0.537037 | 0.8625 |
131 | A5A | 0.536842 | 0.788235 |
132 | DTA | 0.536585 | 0.766234 |
133 | TSB | 0.536082 | 0.77907 |
134 | BIS | 0.534653 | 0.8375 |
135 | JB6 | 0.534653 | 0.8375 |
136 | FYA | 0.534653 | 0.857143 |
137 | SSA | 0.53125 | 0.781609 |
138 | LEU LMS | 0.53 | 0.772727 |
139 | 25L | 0.529412 | 0.881579 |
140 | 7MD | 0.528302 | 0.8875 |
141 | A3P | 0.52809 | 0.891892 |
142 | YLP | 0.527778 | 0.865854 |
143 | NAJ PZO | 0.525862 | 0.873418 |
144 | 52H | 0.525773 | 0.761364 |
145 | 54H | 0.525773 | 0.770115 |
146 | VMS | 0.525773 | 0.770115 |
147 | NSS | 0.525253 | 0.781609 |
148 | EP4 | 0.52439 | 0.75641 |
149 | DQV | 0.523364 | 0.906667 |
150 | 53H | 0.520408 | 0.761364 |
151 | 8X1 | 0.520408 | 0.775281 |
152 | 5CA | 0.520408 | 0.781609 |
153 | NVA LMS | 0.52 | 0.755556 |
154 | KMQ | 0.519231 | 0.883117 |
155 | TYM | 0.518182 | 0.907895 |
156 | OMR | 0.518182 | 0.831325 |
157 | M2T | 0.518072 | 0.7375 |
158 | IOT | 0.517857 | 0.855422 |
159 | 3DH | 0.517647 | 0.753247 |
160 | 6RE | 0.517241 | 0.78481 |
161 | 48N | 0.513761 | 0.873418 |
162 | YLC | 0.513514 | 0.8875 |
163 | YLB | 0.513514 | 0.865854 |
164 | 4TA | 0.513043 | 0.831325 |
165 | NAE | 0.512605 | 0.896104 |
166 | MTA | 0.511905 | 0.753247 |
167 | PAP | 0.510638 | 0.88 |
168 | DSZ | 0.51 | 0.781609 |
169 | LSS | 0.51 | 0.744444 |
170 | P5A | 0.509804 | 0.766667 |
171 | 6V0 | 0.509091 | 0.873418 |
172 | NAX | 0.509091 | 0.829268 |
173 | NAI | 0.509091 | 0.860759 |
174 | TXD | 0.509091 | 0.884615 |
175 | NAJ PYZ | 0.508333 | 0.831325 |
176 | NAQ | 0.508333 | 0.873418 |
177 | NWW | 0.506173 | 0.739726 |
178 | 7D5 | 0.505882 | 0.831169 |
179 | J7C | 0.505618 | 0.772152 |
180 | 5X8 | 0.505376 | 0.789474 |
181 | SFG | 0.505376 | 0.776316 |
182 | 9K8 | 0.504854 | 0.736264 |
183 | G3A | 0.504673 | 0.85 |
184 | TXE | 0.504505 | 0.884615 |
185 | F2R | 0.504348 | 0.865854 |
186 | ZID | 0.504132 | 0.92 |
187 | L3W | 0.5 | 0.883117 |
188 | G5P | 0.5 | 0.85 |
189 | GA7 | 0.5 | 0.858974 |
190 | YLA | 0.5 | 0.865854 |
191 | AFH | 0.5 | 0.8625 |
192 | PO4 PO4 A A A A PO4 | 0.5 | 0.90411 |
193 | 7MC | 0.5 | 0.865854 |
194 | BT5 | 0.495726 | 0.811765 |
195 | AYB | 0.495652 | 0.855422 |
196 | CNA | 0.495652 | 0.907895 |
197 | A4P | 0.495575 | 0.823529 |
198 | GTA | 0.495413 | 0.841463 |
199 | GSU | 0.495146 | 0.781609 |
200 | KAA | 0.495146 | 0.775281 |
201 | A2P | 0.494505 | 0.878378 |
202 | 3AM | 0.494253 | 0.878378 |
203 | M24 | 0.491667 | 0.851852 |
204 | SAH | 0.489583 | 0.769231 |
205 | A3N | 0.488889 | 0.789474 |
206 | IMO | 0.488889 | 0.853333 |
207 | ZAS | 0.488636 | 0.792208 |
208 | COD | 0.487179 | 0.813953 |
209 | B1U | 0.485981 | 0.73913 |
210 | YSA | 0.485981 | 0.761364 |
211 | V47 | 0.484848 | 0.810811 |
212 | SMM | 0.484848 | 0.729412 |
213 | SAM | 0.484536 | 0.73494 |
214 | NDC | 0.484375 | 0.873418 |
215 | 2A5 | 0.484211 | 0.846154 |
216 | GJV | 0.483516 | 0.775 |
217 | 7D3 | 0.483516 | 0.833333 |
218 | S4M | 0.483516 | 0.709302 |
219 | DZD | 0.483051 | 0.8625 |
220 | UP5 | 0.482143 | 0.871795 |
221 | NDE | 0.480315 | 0.907895 |
222 | PPS | 0.479592 | 0.785714 |
223 | SA8 | 0.479167 | 0.753086 |
224 | ATR | 0.479167 | 0.866667 |
225 | MAO | 0.478261 | 0.741176 |
226 | DSH | 0.477778 | 0.75 |
227 | A3G | 0.477778 | 0.826667 |
228 | 8PZ | 0.476636 | 0.761364 |
229 | Z5A | 0.475806 | 0.802326 |
230 | SAI | 0.474227 | 0.759494 |
231 | O02 | 0.474227 | 0.82716 |
232 | 139 | 0.474138 | 0.851852 |
233 | T5A | 0.474138 | 0.8 |
234 | UPA | 0.473684 | 0.884615 |
235 | AP0 | 0.473684 | 0.82716 |
236 | 4TC | 0.473684 | 0.85 |
237 | GEK | 0.470588 | 0.78481 |
238 | V3L | 0.469388 | 0.918919 |
239 | 4YB | 0.468468 | 0.764045 |
240 | N0B | 0.467742 | 0.865854 |
241 | 6MZ | 0.467391 | 0.855263 |
242 | YLY | 0.467213 | 0.855422 |
243 | 80F | 0.466667 | 0.821429 |
244 | 2AM | 0.465909 | 0.866667 |
245 | EEM | 0.464646 | 0.73494 |
246 | 7C5 | 0.463636 | 0.820513 |
247 | D4F | 0.463415 | 0.841463 |
248 | 7D4 | 0.463158 | 0.833333 |
249 | N01 | 0.46281 | 0.932432 |
250 | 5AD | 0.4625 | 0.726027 |
251 | BTX | 0.462185 | 0.8 |
252 | ADJ | 0.461538 | 0.831325 |
253 | NEC | 0.461538 | 0.773333 |
254 | KOY | 0.460177 | 0.828947 |
255 | AV2 | 0.46 | 0.820513 |
256 | NAD BBN | 0.459259 | 0.821429 |
257 | QXG | 0.457143 | 0.758621 |
258 | QXP | 0.456311 | 0.767442 |
259 | S7M | 0.455446 | 0.73494 |
260 | C2R | 0.454545 | 0.855263 |
261 | J4G | 0.45283 | 0.896104 |
262 | A7D | 0.452632 | 0.779221 |
263 | A3S | 0.452632 | 0.813333 |
264 | NAD CJ3 | 0.452555 | 0.793103 |
265 | WSA | 0.452174 | 0.770115 |
266 | N5A | 0.451613 | 0.763158 |
267 | A2R | 0.45098 | 0.906667 |
268 | OVE | 0.450549 | 0.833333 |
269 | NMN AMP PO4 | 0.45 | 0.896104 |
270 | 6AD | 0.45 | 0.817073 |
271 | K3K | 0.449541 | 0.782051 |
272 | NWQ | 0.449438 | 0.72 |
273 | A5D | 0.44898 | 0.766234 |
274 | MHZ | 0.447917 | 0.701149 |
275 | ITT | 0.447917 | 0.842105 |
276 | N5O | 0.445652 | 0.789474 |
277 | 2SA | 0.445545 | 0.883117 |
278 | A3T | 0.443299 | 0.824324 |
279 | K3E | 0.441441 | 0.794872 |
280 | Y3J | 0.440476 | 0.706667 |
281 | 649 | 0.439655 | 0.728261 |
282 | R2V | 0.439252 | 0.767442 |
283 | 7D7 | 0.439024 | 0.746667 |
284 | AMZ | 0.438202 | 0.842105 |
285 | 0UM | 0.438095 | 0.765432 |
286 | EAD | 0.4375 | 0.829268 |
287 | COA FLC | 0.436508 | 0.835294 |
288 | 8Q2 | 0.435897 | 0.736264 |
289 | AAT | 0.435644 | 0.731707 |
290 | P1H | 0.435115 | 0.809524 |
291 | ARU | 0.433962 | 0.795181 |
292 | 62X | 0.433962 | 0.709302 |
293 | NAP | 0.433071 | 0.92 |
294 | 71V | 0.431579 | 0.814815 |
295 | JSQ | 0.43 | 0.848101 |
296 | HFD | 0.43 | 0.848101 |
297 | 6C6 | 0.43 | 0.8125 |
298 | K15 | 0.429907 | 0.72619 |
299 | A6D | 0.429907 | 0.72619 |
300 | DAT | 0.428571 | 0.810127 |
301 | NIA | 0.428571 | 0.780488 |
302 | CUU | 0.428571 | 0.868421 |
303 | NA0 | 0.426357 | 0.907895 |
304 | NHD | 0.42623 | 0.906667 |
305 | 6IA | 0.425743 | 0.817073 |
306 | NAD NDT | 0.424658 | 0.71134 |
307 | NO7 | 0.423077 | 0.883117 |
308 | SXZ | 0.422018 | 0.73494 |
309 | 38V | 0.421875 | 0.819277 |
310 | NAJ | 0.421488 | 0.932432 |
311 | K2H | 0.420561 | 0.7375 |
312 | NVA 2AD | 0.42 | 0.78481 |
313 | CNV FAD | 0.41958 | 0.795455 |
314 | KY2 | 0.419048 | 0.73494 |
315 | DAL FAD PER | 0.418919 | 0.788889 |
316 | TAP | 0.418605 | 0.860759 |
317 | PGS | 0.418367 | 0.814815 |
318 | KB1 | 0.418182 | 0.743902 |
319 | NJP | 0.418033 | 0.896104 |
320 | FB0 | 0.41791 | 0.786517 |
321 | NA7 | 0.416667 | 0.858974 |
322 | PLP AAD | 0.416 | 0.736264 |
323 | 6K6 | 0.415094 | 0.905405 |
324 | D5M | 0.414894 | 0.807692 |
325 | DA | 0.414894 | 0.807692 |
326 | 0WD | 0.414634 | 0.85 |
327 | 2VA | 0.414141 | 0.802632 |
328 | K2K | 0.412844 | 0.740741 |
329 | ENQ | 0.412844 | 0.917808 |
330 | 3NZ | 0.412844 | 0.78481 |
331 | DTP | 0.411765 | 0.810127 |
332 | NX8 | 0.411765 | 0.740741 |
333 | 3AT | 0.411765 | 0.868421 |
334 | KYB | 0.411215 | 0.73494 |
335 | AAM | 0.410526 | 0.891892 |
336 | NZQ | 0.409836 | 0.839506 |
337 | O05 | 0.409091 | 0.823529 |
338 | K2R | 0.409091 | 0.857143 |
339 | NFD | 0.408 | 0.884615 |
340 | NDP DTT | 0.407407 | 0.843373 |
341 | LQJ | 0.40708 | 0.893333 |
342 | KYE | 0.40708 | 0.759036 |
343 | FAD NBT | 0.406897 | 0.752688 |
344 | EU9 | 0.40678 | 0.727273 |
345 | 8BR | 0.40625 | 0.835443 |
346 | APC G U | 0.40625 | 0.8375 |
347 | D3Y | 0.40566 | 0.792208 |
348 | GGZ | 0.40566 | 0.761905 |
349 | TM1 | 0.405405 | 0.755814 |
350 | SLU | 0.404762 | 0.752809 |
351 | 9JJ | 0.40411 | 0.841463 |
352 | FAD T2C | 0.403974 | 0.791209 |
353 | N37 | 0.403361 | 0.759494 |
354 | P33 FDA | 0.402685 | 0.788889 |
355 | 3AD | 0.402299 | 0.808219 |
356 | VRT | 0.401961 | 0.772152 |
357 | SO8 | 0.401961 | 0.792208 |
358 | AVV | 0.401869 | 0.82716 |
359 | S8M | 0.401869 | 0.719512 |
360 | K38 | 0.401786 | 0.782051 |
361 | DCA | 0.401575 | 0.804598 |
362 | ETB | 0.401575 | 0.813953 |
363 | BUA COA | 0.40146 | 0.816092 |
364 | ALF 5GP | 0.4 | 0.819277 |