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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 4 families. | |||||
1 | 3IAL | - | PR8 | C15 H21 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 4 families. | |||||
1 | 3IAL | - | PR8 | C15 H21 N6 O8 P | c1nc(c2c(n.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | PR8 | 1 | 1 |
2 | CA0 | 0.712644 | 0.875 |
3 | KG4 | 0.704545 | 0.875 |
4 | 5AL | 0.684783 | 0.886076 |
5 | 8LE | 0.684783 | 0.853659 |
6 | A2D | 0.674419 | 0.85 |
7 | AT4 | 0.662921 | 0.819277 |
8 | BA3 | 0.659091 | 0.85 |
9 | SRP | 0.652632 | 0.935897 |
10 | 8LH | 0.652632 | 0.8875 |
11 | B4P | 0.651685 | 0.85 |
12 | AP5 | 0.651685 | 0.85 |
13 | ADP | 0.651685 | 0.85 |
14 | 3UK | 0.646465 | 0.875 |
15 | AN2 | 0.644444 | 0.839506 |
16 | 4AD | 0.642857 | 0.9 |
17 | AMO | 0.642857 | 0.911392 |
18 | A | 0.639535 | 0.848101 |
19 | AMP | 0.639535 | 0.848101 |
20 | 8LQ | 0.639175 | 0.8875 |
21 | ADX | 0.637363 | 0.772727 |
22 | M33 | 0.637363 | 0.839506 |
23 | 8QN | 0.632653 | 0.886076 |
24 | OOB | 0.632653 | 0.886076 |
25 | HEJ | 0.630435 | 0.85 |
26 | ACP | 0.630435 | 0.851852 |
27 | 50T | 0.630435 | 0.817073 |
28 | ATP | 0.630435 | 0.85 |
29 | PAJ | 0.626263 | 0.845238 |
30 | WAQ | 0.623762 | 0.961538 |
31 | P5A | 0.623762 | 0.853933 |
32 | B5V | 0.623762 | 0.864198 |
33 | APR | 0.623656 | 0.873418 |
34 | PRX | 0.623656 | 0.851852 |
35 | AR6 | 0.623656 | 0.873418 |
36 | 5FA | 0.623656 | 0.85 |
37 | AQP | 0.623656 | 0.85 |
38 | DLL | 0.62 | 0.886076 |
39 | 00A | 0.62 | 0.843373 |
40 | ABM | 0.617977 | 0.82716 |
41 | 45A | 0.617977 | 0.82716 |
42 | AGS | 0.617021 | 0.809524 |
43 | AD9 | 0.617021 | 0.829268 |
44 | SAP | 0.617021 | 0.809524 |
45 | A1R | 0.61 | 0.936709 |
46 | A3R | 0.61 | 0.936709 |
47 | ATF | 0.608247 | 0.819277 |
48 | LAD | 0.607843 | 0.987179 |
49 | 9SN | 0.605769 | 0.833333 |
50 | AP2 | 0.604396 | 0.864198 |
51 | A12 | 0.604396 | 0.864198 |
52 | ACQ | 0.604167 | 0.851852 |
53 | ANP | 0.604167 | 0.829268 |
54 | TXA | 0.601942 | 0.864198 |
55 | NB8 | 0.601942 | 0.878049 |
56 | 1ZZ | 0.601942 | 0.891566 |
57 | PTJ | 0.601942 | 0.833333 |
58 | ME8 | 0.601942 | 0.869048 |
59 | YAP | 0.6 | 0.9 |
60 | B5Y | 0.6 | 0.853659 |
61 | FA5 | 0.6 | 0.911392 |
62 | B5M | 0.6 | 0.853659 |
63 | OAD | 0.598039 | 0.875 |
64 | SRA | 0.595506 | 0.807229 |
65 | SON | 0.591398 | 0.911392 |
66 | AHX | 0.588235 | 0.878049 |
67 | GAP | 0.587629 | 0.898734 |
68 | 3OD | 0.586538 | 0.875 |
69 | 6YZ | 0.585859 | 0.851852 |
70 | AU1 | 0.585106 | 0.829268 |
71 | 9X8 | 0.582524 | 0.831325 |
72 | LAQ | 0.581818 | 0.891566 |
73 | HQG | 0.58 | 0.8625 |
74 | 4UU | 0.577982 | 0.853659 |
75 | ADP MG | 0.574468 | 0.848101 |
76 | 8X1 | 0.574257 | 0.802198 |
77 | A22 | 0.574257 | 0.839506 |
78 | 4UV | 0.574074 | 0.853659 |
79 | APC | 0.572917 | 0.864198 |
80 | NAX | 0.571429 | 0.857143 |
81 | T99 | 0.571429 | 0.819277 |
82 | TAT | 0.571429 | 0.819277 |
83 | OZV | 0.568627 | 0.85 |
84 | 25A | 0.568627 | 0.85 |
85 | 5SV | 0.568627 | 0.855422 |
86 | RBY | 0.56701 | 0.8875 |
87 | ADV | 0.56701 | 0.8875 |
88 | XAH | 0.564815 | 0.938272 |
89 | ADQ | 0.563107 | 0.875 |
90 | DAL AMP | 0.558824 | 0.8625 |
91 | DQV | 0.558559 | 0.8625 |
92 | 4UW | 0.557522 | 0.823529 |
93 | 9ZA | 0.553398 | 0.843373 |
94 | 9ZD | 0.553398 | 0.843373 |
95 | TXE | 0.552632 | 0.865854 |
96 | TYM | 0.552632 | 0.911392 |
97 | ATP MG | 0.55102 | 0.848101 |
98 | APC MG | 0.55102 | 0.85 |
99 | ADP PO3 | 0.55102 | 0.848101 |
100 | YLY | 0.54918 | 0.951219 |
101 | YLP | 0.548673 | 0.962963 |
102 | NAI | 0.54386 | 0.821429 |
103 | TXD | 0.54386 | 0.865854 |
104 | 6V0 | 0.54386 | 0.833333 |
105 | BIS | 0.542056 | 0.843373 |
106 | FYA | 0.542056 | 0.886076 |
107 | G3A | 0.540541 | 0.811765 |
108 | OMR | 0.53913 | 0.880952 |
109 | 25L | 0.537037 | 0.839506 |
110 | G5P | 0.535714 | 0.811765 |
111 | YLC | 0.534483 | 0.9625 |
112 | YLB | 0.534483 | 0.962963 |
113 | T5A | 0.533898 | 0.848837 |
114 | LMS | 0.532609 | 0.752809 |
115 | GTA | 0.530973 | 0.784091 |
116 | NXX | 0.530435 | 0.864198 |
117 | DND | 0.530435 | 0.864198 |
118 | ADP ALF | 0.529412 | 0.788235 |
119 | ALF ADP | 0.529412 | 0.788235 |
120 | BT5 | 0.528926 | 0.904762 |
121 | MAP | 0.528846 | 0.809524 |
122 | IOT | 0.525424 | 0.951219 |
123 | VO4 ADP | 0.524272 | 0.839506 |
124 | ADP VO4 | 0.524272 | 0.839506 |
125 | MYR AMP | 0.522936 | 0.869048 |
126 | 48N | 0.521739 | 0.855422 |
127 | YLA | 0.521008 | 0.962963 |
128 | UP5 | 0.517241 | 0.831325 |
129 | A4P | 0.516949 | 0.808989 |
130 | AYB | 0.516667 | 0.951219 |
131 | 5AS | 0.515464 | 0.769231 |
132 | 7MD | 0.508772 | 0.9625 |
133 | AFH | 0.508772 | 0.845238 |
134 | GA7 | 0.508772 | 0.841463 |
135 | LPA AMP | 0.508621 | 0.869048 |
136 | AP0 | 0.508475 | 0.790698 |
137 | 4TC | 0.508475 | 0.833333 |
138 | ADJ | 0.508333 | 0.880952 |
139 | AOC | 0.505263 | 0.740741 |
140 | A A | 0.504587 | 0.82716 |
141 | TYR AMP | 0.504425 | 0.876543 |
142 | TAD | 0.504348 | 0.845238 |
143 | CNA | 0.504132 | 0.864198 |
144 | M24 | 0.5 | 0.813953 |
145 | G5A | 0.5 | 0.808989 |
146 | A3D | 0.5 | 0.851852 |
147 | 5CD | 0.5 | 0.725 |
148 | XYA | 0.5 | 0.759494 |
149 | JB6 | 0.5 | 0.865854 |
150 | RAB | 0.5 | 0.759494 |
151 | ADN | 0.5 | 0.759494 |
152 | NAD | 0.495935 | 0.8625 |
153 | 139 | 0.495868 | 0.879518 |
154 | UPA | 0.495798 | 0.843373 |
155 | ARG AMP | 0.495652 | 0.903614 |
156 | ADP BMA | 0.495413 | 0.851852 |
157 | DSZ | 0.490741 | 0.788889 |
158 | 54H | 0.490566 | 0.73913 |
159 | VMS | 0.490566 | 0.73913 |
160 | 5N5 | 0.488636 | 0.759494 |
161 | N0B | 0.488372 | 0.962963 |
162 | 80F | 0.488 | 0.827586 |
163 | F2R | 0.487805 | 0.915663 |
164 | TSB | 0.485981 | 0.747253 |
165 | A5A | 0.485714 | 0.755556 |
166 | BTX | 0.483871 | 0.892857 |
167 | COD | 0.483871 | 0.905882 |
168 | 7MC | 0.483333 | 0.939024 |
169 | A4D | 0.483146 | 0.7375 |
170 | SSA | 0.481132 | 0.788889 |
171 | 2A5 | 0.480392 | 0.875 |
172 | DZD | 0.48 | 0.890244 |
173 | AMP DBH | 0.478261 | 0.807229 |
174 | M2T | 0.478261 | 0.666667 |
175 | DTA | 0.478261 | 0.731707 |
176 | NSS | 0.477064 | 0.769231 |
177 | 52H | 0.476636 | 0.731183 |
178 | ATR | 0.475728 | 0.825 |
179 | PAP | 0.475728 | 0.8375 |
180 | AF3 ADP 3PG | 0.475 | 0.823529 |
181 | A3P | 0.474747 | 0.848101 |
182 | AHZ | 0.474576 | 0.804598 |
183 | ATP A | 0.473684 | 0.8375 |
184 | ATP A A A | 0.473684 | 0.8375 |
185 | MTA | 0.473118 | 0.698795 |
186 | NVA LMS | 0.472727 | 0.763441 |
187 | 53H | 0.472222 | 0.731183 |
188 | 5CA | 0.472222 | 0.788889 |
189 | H1Q | 0.470588 | 0.814815 |
190 | NDC | 0.470588 | 0.901235 |
191 | EAD | 0.469697 | 0.813953 |
192 | 7D5 | 0.468085 | 0.814815 |
193 | EP4 | 0.467391 | 0.702381 |
194 | ZID | 0.465649 | 0.851852 |
195 | 7D3 | 0.464646 | 0.817073 |
196 | GSU | 0.464286 | 0.808989 |
197 | 6RE | 0.463918 | 0.771084 |
198 | LSS | 0.463636 | 0.752688 |
199 | 3DH | 0.463158 | 0.698795 |
200 | A2R | 0.462963 | 0.8625 |
201 | PPS | 0.462264 | 0.752809 |
202 | NAE | 0.461538 | 0.831325 |
203 | ITT | 0.460784 | 0.802469 |
204 | 7D4 | 0.460784 | 0.817073 |
205 | AMP NAD | 0.460317 | 0.8625 |
206 | 4TA | 0.460317 | 0.837209 |
207 | 9K8 | 0.460177 | 0.690722 |
208 | A2P | 0.46 | 0.835443 |
209 | 3AM | 0.458333 | 0.835443 |
210 | NAQ | 0.458015 | 0.811765 |
211 | AR6 AR6 | 0.457627 | 0.85 |
212 | 6C6 | 0.457143 | 0.911392 |
213 | 5X8 | 0.456311 | 0.775 |
214 | P1H | 0.455882 | 0.816092 |
215 | LEU LMS | 0.455357 | 0.744681 |
216 | J7C | 0.454545 | 0.780488 |
217 | 3AT | 0.45283 | 0.85 |
218 | KAA | 0.451327 | 0.842697 |
219 | NAJ PZO | 0.449612 | 0.790698 |
220 | 6AD | 0.448598 | 0.781609 |
221 | NPW | 0.448 | 0.847059 |
222 | 2AM | 0.447917 | 0.825 |
223 | ARU | 0.446429 | 0.761364 |
224 | KOY | 0.446281 | 0.790123 |
225 | YSA | 0.444444 | 0.769231 |
226 | B1U | 0.444444 | 0.693878 |
227 | A3G | 0.444444 | 0.810127 |
228 | HFD | 0.443396 | 0.809524 |
229 | JSQ | 0.443396 | 0.809524 |
230 | NA7 | 0.442478 | 0.8875 |
231 | SFG | 0.442308 | 0.807692 |
232 | IMO | 0.44 | 0.8125 |
233 | A3N | 0.44 | 0.731707 |
234 | V3L | 0.439252 | 0.873418 |
235 | ZAS | 0.438776 | 0.73494 |
236 | J4G | 0.438596 | 0.924051 |
237 | G A A A | 0.4375 | 0.811765 |
238 | 0WD | 0.4375 | 0.811765 |
239 | 7C5 | 0.436975 | 0.761905 |
240 | NO7 | 0.436364 | 0.841463 |
241 | NAJ PYZ | 0.43609 | 0.755556 |
242 | 8PZ | 0.435897 | 0.769231 |
243 | 6MZ | 0.435644 | 0.814815 |
244 | S4M | 0.435644 | 0.758621 |
245 | GJV | 0.435644 | 0.783133 |
246 | NDE | 0.434783 | 0.841463 |
247 | OVE | 0.434343 | 0.795181 |
248 | A5D | 0.433962 | 0.731707 |
249 | SA8 | 0.433962 | 0.783133 |
250 | NZQ | 0.433071 | 0.823529 |
251 | MAO | 0.431373 | 0.790698 |
252 | 2SA | 0.431193 | 0.8875 |
253 | DSH | 0.43 | 0.825 |
254 | SAH | 0.429907 | 0.8 |
255 | SAI | 0.429907 | 0.790123 |
256 | A6D | 0.429825 | 0.677778 |
257 | 4YB | 0.429752 | 0.791209 |
258 | ODP | 0.429688 | 0.802326 |
259 | NJP | 0.429688 | 0.831325 |
260 | Z5A | 0.42963 | 0.788889 |
261 | FB0 | 0.428571 | 0.875 |
262 | AVV | 0.428571 | 0.855422 |
263 | DAT | 0.428571 | 0.8625 |
264 | U A | 0.427481 | 0.821429 |
265 | WSA | 0.427419 | 0.777778 |
266 | SMM | 0.427273 | 0.738636 |
267 | A G | 0.426357 | 0.8 |
268 | SAM | 0.425926 | 0.744186 |
269 | DTP | 0.425926 | 0.8625 |
270 | NDP | 0.425197 | 0.811765 |
271 | FAS | 0.423611 | 0.837209 |
272 | FAD | 0.423611 | 0.837209 |
273 | U A G G | 0.423077 | 0.8 |
274 | FDA | 0.422535 | 0.8 |
275 | EEM | 0.422018 | 0.744186 |
276 | TXP | 0.421875 | 0.855422 |
277 | 6FA | 0.41958 | 0.827586 |
278 | FAY | 0.418919 | 0.847059 |
279 | AV2 | 0.418182 | 0.783133 |
280 | NEC | 0.415842 | 0.716049 |
281 | XNP | 0.415385 | 0.813953 |
282 | S7M | 0.414414 | 0.744186 |
283 | FNK | 0.412162 | 0.793478 |
284 | 5AD | 0.411111 | 0.670886 |
285 | A7D | 0.409524 | 0.7875 |
286 | A3S | 0.409524 | 0.797468 |
287 | P5F | 0.409091 | 0.811111 |
288 | AAT | 0.409091 | 0.804878 |
289 | N6P | 0.408696 | 0.8 |
290 | Y3J | 0.408602 | 0.654321 |
291 | LQJ | 0.408333 | 0.85 |
292 | AMZ | 0.408163 | 0.802469 |
293 | C2R | 0.408163 | 0.814815 |
294 | NVA 2AD | 0.407407 | 0.771084 |
295 | GGZ | 0.40708 | 0.730337 |
296 | RFL | 0.406667 | 0.808989 |
297 | MHZ | 0.40566 | 0.790698 |
298 | 9JJ | 0.405229 | 0.784091 |
299 | A A A | 0.405172 | 0.886076 |
300 | V1N | 0.404959 | 0.873418 |
301 | 649 | 0.404762 | 0.813187 |
302 | SFD | 0.40411 | 0.727273 |
303 | 71V | 0.403846 | 0.77907 |
304 | GEK | 0.403509 | 0.792683 |
305 | ETB | 0.402985 | 0.840909 |
306 | N5O | 0.401961 | 0.797468 |
307 | D5M | 0.401961 | 0.860759 |
308 | DA | 0.401961 | 0.860759 |
309 | A3T | 0.401869 | 0.7625 |
310 | 8Q2 | 0.401575 | 0.744681 |
311 | 0UM | 0.4 | 0.839506 |
312 | 6IA | 0.4 | 0.845238 |
313 | DDS | 0.4 | 0.8375 |
This union binding pocket(no: 1) in the query (biounit: 3ial.bio1) has 24 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 3ial.bio1) has 24 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |