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- PDB : .ZIP | .CSV
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- Class : .ZIP | .CSV
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 31 families. | |||||
1 | 2OD9 | - | A1R NCA | n/a | n/a |
2 | 2OD7 | - | A1R | C15 H24 N6 O12 P2 | c1nc(c2c(n.... |
3 | 2OD2 | - | CNA | C22 H30 N7 O13 P2 | c1cc(c[n+].... |
4 | 2QQF | - | A1R | C15 H24 N6 O12 P2 | c1nc(c2c(n.... |
5 | 2QQG | - | A1R NCA | n/a | n/a |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 20 families. | |||||
1 | 2OD9 | - | A1R NCA | n/a | n/a |
2 | 2OD7 | - | A1R | C15 H24 N6 O12 P2 | c1nc(c2c(n.... |
3 | 2OD2 | - | CNA | C22 H30 N7 O13 P2 | c1cc(c[n+].... |
4 | 2QQF | - | A1R | C15 H24 N6 O12 P2 | c1nc(c2c(n.... |
5 | 2QQG | - | A1R NCA | n/a | n/a |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | A1R | 1 | 1 |
2 | A2D | 0.78481 | 0.907895 |
3 | BA3 | 0.743902 | 0.907895 |
4 | A3R | 0.736264 | 1 |
5 | B4P | 0.73494 | 0.907895 |
6 | AP5 | 0.73494 | 0.907895 |
7 | AN2 | 0.72619 | 0.896104 |
8 | APR | 0.72093 | 0.907895 |
9 | AR6 | 0.72093 | 0.907895 |
10 | ADP | 0.714286 | 0.907895 |
11 | ATP | 0.709302 | 0.907895 |
12 | HEJ | 0.709302 | 0.907895 |
13 | AT4 | 0.705882 | 0.873418 |
14 | AQP | 0.701149 | 0.907895 |
15 | 5FA | 0.701149 | 0.907895 |
16 | M33 | 0.697674 | 0.896104 |
17 | AD9 | 0.693182 | 0.884615 |
18 | AGS | 0.693182 | 0.8625 |
19 | ACP | 0.689655 | 0.909091 |
20 | HQG | 0.666667 | 0.896104 |
21 | AMP | 0.662651 | 0.881579 |
22 | A | 0.662651 | 0.881579 |
23 | A22 | 0.659574 | 0.896104 |
24 | ANP | 0.659341 | 0.884615 |
25 | ACQ | 0.659341 | 0.909091 |
26 | ADX | 0.659091 | 0.821429 |
27 | CA0 | 0.659091 | 0.884615 |
28 | 5AL | 0.652174 | 0.871795 |
29 | KG4 | 0.651685 | 0.884615 |
30 | 50T | 0.651685 | 0.871795 |
31 | 9X8 | 0.649485 | 0.8625 |
32 | ATF | 0.645161 | 0.873418 |
33 | PRX | 0.644444 | 0.860759 |
34 | ABM | 0.639535 | 0.858974 |
35 | 45A | 0.639535 | 0.858974 |
36 | JNT | 0.639175 | 0.96 |
37 | SRP | 0.638298 | 0.922078 |
38 | 6YZ | 0.638298 | 0.909091 |
39 | 3OD | 0.636364 | 0.884615 |
40 | AMP MG | 0.635294 | 0.868421 |
41 | OAD | 0.632653 | 0.884615 |
42 | ADQ | 0.628866 | 0.909091 |
43 | A12 | 0.625 | 0.922078 |
44 | AP2 | 0.625 | 0.922078 |
45 | 8LH | 0.621053 | 0.873418 |
46 | 8QN | 0.618557 | 0.871795 |
47 | 8LE | 0.617021 | 0.839506 |
48 | SRA | 0.616279 | 0.8375 |
49 | AMO | 0.612245 | 0.922078 |
50 | 4AD | 0.612245 | 0.910256 |
51 | ADP MG | 0.611111 | 0.881579 |
52 | ADP BEF | 0.611111 | 0.881579 |
53 | PR8 | 0.61 | 0.936709 |
54 | APC | 0.608696 | 0.922078 |
55 | 8LQ | 0.608247 | 0.873418 |
56 | TAT | 0.606383 | 0.873418 |
57 | T99 | 0.606383 | 0.873418 |
58 | AU1 | 0.604396 | 0.884615 |
59 | BIS | 0.60396 | 0.851852 |
60 | KMQ | 0.601942 | 0.873418 |
61 | G3A | 0.6 | 0.841463 |
62 | 25L | 0.598039 | 0.896104 |
63 | PAJ | 0.59596 | 0.853659 |
64 | G5P | 0.59434 | 0.841463 |
65 | LAD | 0.594059 | 0.924051 |
66 | QA7 | 0.591837 | 0.839506 |
67 | AP0 | 0.590909 | 0.841463 |
68 | 00A | 0.59 | 0.829268 |
69 | AHX | 0.59 | 0.911392 |
70 | DQV | 0.588785 | 0.896104 |
71 | ME8 | 0.588235 | 0.833333 |
72 | NB8 | 0.588235 | 0.8875 |
73 | DND | 0.587156 | 0.873418 |
74 | NAI | 0.587156 | 0.851852 |
75 | OZV | 0.585859 | 0.907895 |
76 | 5SV | 0.585859 | 0.841463 |
77 | 25A | 0.585859 | 0.883117 |
78 | OOB | 0.585859 | 0.871795 |
79 | ADP PO3 | 0.585106 | 0.881579 |
80 | ADV | 0.585106 | 0.922078 |
81 | RBY | 0.585106 | 0.922078 |
82 | APC MG | 0.585106 | 0.883117 |
83 | ATP MG | 0.585106 | 0.881579 |
84 | V2G | 0.583333 | 0.911392 |
85 | TXE | 0.581818 | 0.898734 |
86 | BEF ADP | 0.578947 | 0.858974 |
87 | WAQ | 0.578431 | 0.898734 |
88 | ALF ADP | 0.57732 | 0.817073 |
89 | MAP | 0.575758 | 0.8625 |
90 | ADJ | 0.575221 | 0.890244 |
91 | DLL | 0.574257 | 0.871795 |
92 | GTA | 0.574074 | 0.811765 |
93 | FYA | 0.572816 | 0.921053 |
94 | PTJ | 0.572816 | 0.819277 |
95 | 6V0 | 0.572727 | 0.864198 |
96 | TXD | 0.572727 | 0.898734 |
97 | NAX | 0.572727 | 0.865854 |
98 | FA5 | 0.571429 | 0.897436 |
99 | 3UK | 0.568627 | 0.860759 |
100 | AFH | 0.564815 | 0.876543 |
101 | 48N | 0.563636 | 0.864198 |
102 | B5V | 0.563107 | 0.85 |
103 | 9SN | 0.561905 | 0.819277 |
104 | T5A | 0.561404 | 0.879518 |
105 | VO4 ADP | 0.561224 | 0.860759 |
106 | ANP MG | 0.561224 | 0.871795 |
107 | DAL AMP | 0.56 | 0.848101 |
108 | SON | 0.55914 | 0.897436 |
109 | UP5 | 0.558559 | 0.8625 |
110 | 1ZZ | 0.557692 | 0.833333 |
111 | TXA | 0.557692 | 0.873418 |
112 | A4P | 0.557522 | 0.837209 |
113 | GAP | 0.556701 | 0.884615 |
114 | CNA | 0.556522 | 0.897436 |
115 | 9ZA | 0.554455 | 0.829268 |
116 | 9ZD | 0.554455 | 0.829268 |
117 | OMR | 0.553571 | 0.845238 |
118 | F2R | 0.551724 | 0.879518 |
119 | XAH | 0.551402 | 0.901235 |
120 | 80F | 0.550847 | 0.835294 |
121 | LMS | 0.550562 | 0.77907 |
122 | YLP | 0.54955 | 0.902439 |
123 | L3W | 0.548673 | 0.873418 |
124 | 139 | 0.547826 | 0.9125 |
125 | B5Y | 0.542056 | 0.839506 |
126 | B5M | 0.542056 | 0.839506 |
127 | 2A5 | 0.541667 | 0.909091 |
128 | TYM | 0.539823 | 0.897436 |
129 | 7D4 | 0.536842 | 0.871795 |
130 | 4UU | 0.536364 | 0.839506 |
131 | YLC | 0.535088 | 0.901235 |
132 | 4TC | 0.535088 | 0.864198 |
133 | YLB | 0.535088 | 0.902439 |
134 | A2R | 0.534653 | 0.896104 |
135 | COD | 0.533898 | 0.892857 |
136 | 4UV | 0.53211 | 0.839506 |
137 | 7D3 | 0.526882 | 0.871795 |
138 | LAQ | 0.526786 | 0.833333 |
139 | YLY | 0.52459 | 0.891566 |
140 | ADP BMA | 0.52381 | 0.884615 |
141 | NA7 | 0.52381 | 0.947368 |
142 | GA7 | 0.522523 | 0.897436 |
143 | AOC | 0.521739 | 0.769231 |
144 | YLA | 0.521368 | 0.902439 |
145 | NAD | 0.521008 | 0.871795 |
146 | ITT | 0.520833 | 0.857143 |
147 | PAP | 0.520408 | 0.894737 |
148 | ATR | 0.520408 | 0.881579 |
149 | XYA | 0.518072 | 0.813333 |
150 | RAB | 0.518072 | 0.813333 |
151 | ADN | 0.518072 | 0.813333 |
152 | 4UW | 0.517544 | 0.809524 |
153 | AYB | 0.516949 | 0.891566 |
154 | 5AS | 0.515789 | 0.795455 |
155 | IOT | 0.512821 | 0.891566 |
156 | A3D | 0.512397 | 0.860759 |
157 | AVV | 0.509615 | 0.911392 |
158 | MYR AMP | 0.509259 | 0.811765 |
159 | ARG AMP | 0.508929 | 0.845238 |
160 | UPA | 0.508621 | 0.875 |
161 | BTX | 0.508333 | 0.857143 |
162 | 5N5 | 0.505882 | 0.813333 |
163 | BT5 | 0.504132 | 0.847059 |
164 | HFD | 0.5 | 0.8625 |
165 | 5CD | 0.5 | 0.753247 |
166 | 8X1 | 0.5 | 0.788889 |
167 | H1Q | 0.5 | 0.846154 |
168 | EP4 | 0.5 | 0.728395 |
169 | A4D | 0.5 | 0.789474 |
170 | ATP A | 0.5 | 0.87013 |
171 | JSQ | 0.5 | 0.8625 |
172 | JB6 | 0.5 | 0.875 |
173 | 7D5 | 0.5 | 0.846154 |
174 | ATP A A A | 0.5 | 0.87013 |
175 | 7MD | 0.495575 | 0.925 |
176 | 3AT | 0.49505 | 0.907895 |
177 | DTP | 0.49505 | 0.921053 |
178 | EAD | 0.492188 | 0.843373 |
179 | TAD | 0.491228 | 0.876543 |
180 | P5A | 0.490741 | 0.820225 |
181 | 54H | 0.490385 | 0.744444 |
182 | VMS | 0.490385 | 0.744444 |
183 | A3P | 0.489583 | 0.881579 |
184 | MTA | 0.488889 | 0.725 |
185 | N0B | 0.488189 | 0.902439 |
186 | AF3 ADP 3PG | 0.487179 | 0.809524 |
187 | TSB | 0.485714 | 0.772727 |
188 | A5A | 0.485437 | 0.761364 |
189 | G5A | 0.485149 | 0.816092 |
190 | DAT | 0.484848 | 0.921053 |
191 | CUU | 0.484848 | 0.907895 |
192 | NAE | 0.484127 | 0.839506 |
193 | NAD IBO | 0.483051 | 0.858974 |
194 | NAD TDB | 0.483051 | 0.858974 |
195 | LPA AMP | 0.482759 | 0.811765 |
196 | AR6 AR6 | 0.482456 | 0.858974 |
197 | SSA | 0.480769 | 0.816092 |
198 | NAQ | 0.480315 | 0.819277 |
199 | DZD | 0.479675 | 0.924051 |
200 | 3DH | 0.478261 | 0.725 |
201 | AMP DBH | 0.477876 | 0.8375 |
202 | M2T | 0.477778 | 0.690476 |
203 | DTA | 0.477778 | 0.759494 |
204 | P1H | 0.477273 | 0.823529 |
205 | GSU | 0.477064 | 0.775281 |
206 | DSZ | 0.476636 | 0.795455 |
207 | ZID | 0.476562 | 0.860759 |
208 | 52H | 0.47619 | 0.736264 |
209 | PPS | 0.475728 | 0.8 |
210 | 6AD | 0.475728 | 0.831325 |
211 | NJP | 0.47541 | 0.8625 |
212 | ALF ADP 3PG | 0.474576 | 0.809524 |
213 | A2P | 0.474227 | 0.868421 |
214 | AHZ | 0.474138 | 0.770115 |
215 | 3AM | 0.473118 | 0.868421 |
216 | D4F | 0.472441 | 0.811765 |
217 | 53H | 0.471698 | 0.736264 |
218 | 5CA | 0.471698 | 0.816092 |
219 | 4TA | 0.471545 | 0.845238 |
220 | 0WD | 0.471545 | 0.841463 |
221 | 5X8 | 0.47 | 0.759494 |
222 | NAJ PYZ | 0.46875 | 0.761364 |
223 | LEU LMS | 0.46789 | 0.728261 |
224 | M24 | 0.464567 | 0.8 |
225 | J4G | 0.463636 | 0.886076 |
226 | FDA | 0.463235 | 0.827586 |
227 | 6RE | 0.463158 | 0.777778 |
228 | NSS | 0.462963 | 0.795455 |
229 | LSS | 0.462963 | 0.758242 |
230 | NO7 | 0.462264 | 0.897436 |
231 | NAJ PZO | 0.460317 | 0.797619 |
232 | 6FA | 0.459854 | 0.857143 |
233 | AMP NAD | 0.459677 | 0.848101 |
234 | FB0 | 0.459259 | 0.862069 |
235 | NDC | 0.459259 | 0.864198 |
236 | NDP | 0.459016 | 0.841463 |
237 | NVA LMS | 0.458716 | 0.75 |
238 | ARU | 0.458716 | 0.809524 |
239 | DSH | 0.458333 | 0.810127 |
240 | 7MC | 0.458333 | 0.902439 |
241 | AV2 | 0.457143 | 0.835443 |
242 | NZQ | 0.455285 | 0.853659 |
243 | NDE | 0.455224 | 0.85 |
244 | 38V | 0.453846 | 0.855422 |
245 | IMO | 0.453608 | 0.844156 |
246 | J7C | 0.453608 | 0.7875 |
247 | A3N | 0.453608 | 0.782051 |
248 | FAS | 0.453237 | 0.86747 |
249 | SFD | 0.453237 | 0.75 |
250 | FAD | 0.453237 | 0.86747 |
251 | ZAS | 0.452632 | 0.7625 |
252 | V3L | 0.451923 | 0.883117 |
253 | ODP | 0.451613 | 0.831325 |
254 | KAA | 0.45045 | 0.808989 |
255 | S4M | 0.44898 | 0.744186 |
256 | GJV | 0.44898 | 0.768293 |
257 | 6MZ | 0.44898 | 0.846154 |
258 | FAY | 0.447552 | 0.878049 |
259 | NPW | 0.447154 | 0.855422 |
260 | 2AM | 0.446809 | 0.881579 |
261 | 9K8 | 0.446429 | 0.677083 |
262 | MAO | 0.444444 | 0.797619 |
263 | RFL | 0.444444 | 0.837209 |
264 | TXP | 0.443548 | 0.8875 |
265 | YSA | 0.443478 | 0.775281 |
266 | D5M | 0.443299 | 0.894737 |
267 | DA | 0.443299 | 0.894737 |
268 | O02 | 0.442308 | 0.8875 |
269 | SAH | 0.442308 | 0.7625 |
270 | SFG | 0.441176 | 0.769231 |
271 | FNK | 0.440559 | 0.820225 |
272 | SMM | 0.439252 | 0.704545 |
273 | DDS | 0.438095 | 0.87013 |
274 | A7D | 0.435644 | 0.794872 |
275 | 8PZ | 0.434783 | 0.795455 |
276 | EEM | 0.433962 | 0.709302 |
277 | NWW | 0.433333 | 0.710526 |
278 | OVE | 0.43299 | 0.848101 |
279 | SA8 | 0.432692 | 0.746988 |
280 | 62F | 0.430556 | 0.901235 |
281 | SAI | 0.428571 | 0.753086 |
282 | 6C6 | 0.428571 | 0.897436 |
283 | Z5A | 0.428571 | 0.795455 |
284 | GP3 | 0.428571 | 0.841463 |
285 | A3G | 0.428571 | 0.842105 |
286 | FA9 | 0.427632 | 0.879518 |
287 | P5F | 0.426667 | 0.818182 |
288 | WSA | 0.42623 | 0.784091 |
289 | 5AD | 0.425287 | 0.697368 |
290 | XNP | 0.425197 | 0.821429 |
291 | G2R | 0.424779 | 0.876543 |
292 | SAM | 0.424528 | 0.709302 |
293 | 6IA | 0.424528 | 0.853659 |
294 | 7C5 | 0.423729 | 0.746988 |
295 | 7DT | 0.423077 | 0.894737 |
296 | 9JJ | 0.422819 | 0.811765 |
297 | RGT | 0.422414 | 0.873418 |
298 | K3K | 0.422414 | 0.775 |
299 | G1R | 0.422018 | 0.829268 |
300 | A3S | 0.421569 | 0.828947 |
301 | 7DD | 0.421569 | 0.894737 |
302 | GNH | 0.420561 | 0.829268 |
303 | 7D7 | 0.420455 | 0.74026 |
304 | PUA | 0.419847 | 0.876543 |
305 | A5D | 0.419048 | 0.759494 |
306 | LQJ | 0.418803 | 0.883117 |
307 | B1U | 0.418803 | 0.697917 |
308 | GGZ | 0.418182 | 0.776471 |
309 | TAP | 0.41791 | 0.829268 |
310 | MHZ | 0.417476 | 0.776471 |
311 | COA | 0.416667 | 0.882353 |
312 | PO4 PO4 A A A A PO4 | 0.415929 | 0.844156 |
313 | 71V | 0.415842 | 0.829268 |
314 | K3E | 0.415254 | 0.7875 |
315 | CMX | 0.414815 | 0.882353 |
316 | S8M | 0.414414 | 0.777778 |
317 | NEC | 0.414141 | 0.74359 |
318 | A3T | 0.413462 | 0.792208 |
319 | FAJ | 0.412903 | 0.869048 |
320 | S7M | 0.412844 | 0.709302 |
321 | GTP | 0.412844 | 0.839506 |
322 | DCA | 0.412214 | 0.882353 |
323 | ETB | 0.412214 | 0.848837 |
324 | F2N | 0.411765 | 0.829545 |
325 | GDP | 0.411215 | 0.839506 |
326 | NAP | 0.410448 | 0.860759 |
327 | AS | 0.41 | 0.85 |
328 | KOY | 0.409836 | 0.753086 |
329 | GCP | 0.409091 | 0.841463 |
330 | DZ4 | 0.407407 | 0.897436 |
331 | 1DG | 0.407407 | 0.841463 |
332 | AMX | 0.407407 | 0.892857 |
333 | DG1 | 0.407407 | 0.841463 |
334 | AAT | 0.407407 | 0.790123 |
335 | N6P | 0.40708 | 0.831169 |
336 | Y3J | 0.406593 | 0.679487 |
337 | 128 | 0.406504 | 0.714286 |
338 | 0T1 | 0.406015 | 0.882353 |
339 | GSP | 0.405405 | 0.8 |
340 | 4YB | 0.404959 | 0.758242 |
341 | CC5 | 0.404494 | 0.786667 |
342 | NA0 | 0.404412 | 0.85 |
343 | SCO | 0.404412 | 0.882353 |
344 | 101 | 0.40404 | 0.894737 |
345 | PGS | 0.403846 | 0.807229 |
346 | 2SA | 0.40367 | 0.897436 |
347 | K15 | 0.403509 | 0.741176 |
348 | G2Q | 0.403509 | 0.876543 |
349 | V1N | 0.403361 | 0.858974 |
350 | NHD | 0.403101 | 0.848101 |
351 | CA6 | 0.402878 | 0.78125 |
352 | 3L1 | 0.402174 | 0.84 |
353 | 3D1 | 0.402174 | 0.84 |
354 | 3AD | 0.402174 | 0.8 |
355 | QXP | 0.401786 | 0.761364 |
356 | 6K6 | 0.401786 | 0.894737 |
357 | GEK | 0.401786 | 0.756098 |
358 | V47 | 0.4 | 0.734177 |
359 | 8Q2 | 0.4 | 0.769231 |
This union binding pocket(no: 1) in the query (biounit: 2od9.bio2) has 31 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |