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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 7 families. | |||||
1 | 3B2Q | - | ATP | C10 H16 N5 O13 P3 | c1nc(c2c(n.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 5 families. | |||||
1 | 3B2Q | - | ATP | C10 H16 N5 O13 P3 | c1nc(c2c(n.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | ATP | 1 | 1 |
2 | HEJ | 1 | 1 |
3 | AQP | 0.985507 | 1 |
4 | 5FA | 0.985507 | 1 |
5 | AP5 | 0.927536 | 0.971831 |
6 | B4P | 0.927536 | 0.971831 |
7 | BA3 | 0.913043 | 0.971831 |
8 | ADP | 0.9 | 1 |
9 | A2D | 0.884058 | 0.971831 |
10 | AGS | 0.84 | 0.945946 |
11 | 6YZ | 0.833333 | 0.972222 |
12 | AT4 | 0.810811 | 0.958904 |
13 | AN2 | 0.810811 | 0.985915 |
14 | 25L | 0.809524 | 0.985915 |
15 | APR | 0.802632 | 0.971831 |
16 | AR6 | 0.802632 | 0.971831 |
17 | M33 | 0.8 | 0.958333 |
18 | ACQ | 0.794872 | 0.972222 |
19 | TAT | 0.794872 | 0.958904 |
20 | T99 | 0.794872 | 0.958904 |
21 | AD9 | 0.792208 | 0.972222 |
22 | ACP | 0.789474 | 0.972222 |
23 | A | 0.788732 | 0.971429 |
24 | AMP | 0.788732 | 0.971429 |
25 | ANP | 0.772152 | 0.972222 |
26 | HQG | 0.756098 | 0.985915 |
27 | CA0 | 0.753247 | 0.945205 |
28 | ADX | 0.753247 | 0.873418 |
29 | A22 | 0.746988 | 0.985915 |
30 | 50T | 0.74359 | 0.958333 |
31 | KG4 | 0.74359 | 0.945205 |
32 | PRX | 0.734177 | 0.893333 |
33 | APC | 0.734177 | 0.958904 |
34 | ABM | 0.733333 | 0.917808 |
35 | 45A | 0.733333 | 0.917808 |
36 | ATF | 0.731707 | 0.958904 |
37 | 7D4 | 0.730769 | 0.905405 |
38 | ITT | 0.730769 | 0.943662 |
39 | AMP MG | 0.72973 | 0.929577 |
40 | ADQ | 0.729412 | 0.945205 |
41 | A3R | 0.729412 | 0.907895 |
42 | AP2 | 0.714286 | 0.958904 |
43 | A12 | 0.714286 | 0.958904 |
44 | A1R | 0.709302 | 0.907895 |
45 | SRA | 0.706667 | 0.918919 |
46 | JNT | 0.701149 | 0.945205 |
47 | 5AL | 0.698795 | 0.931507 |
48 | 8LE | 0.698795 | 0.894737 |
49 | ADP MG | 0.696203 | 0.943662 |
50 | ADP BEF | 0.696203 | 0.943662 |
51 | JSQ | 0.695122 | 0.945946 |
52 | HFD | 0.695122 | 0.945946 |
53 | 9X8 | 0.693182 | 0.92 |
54 | OAD | 0.693182 | 0.945205 |
55 | AU1 | 0.6875 | 0.972222 |
56 | APC MG | 0.682927 | 0.917808 |
57 | 8LH | 0.682353 | 0.906667 |
58 | SRP | 0.682353 | 0.906667 |
59 | G5P | 0.680851 | 0.921053 |
60 | 25A | 0.678161 | 0.971831 |
61 | OZV | 0.678161 | 0.971831 |
62 | 3OD | 0.677778 | 0.945205 |
63 | 4AD | 0.670455 | 0.92 |
64 | G3A | 0.670213 | 0.921053 |
65 | 8LQ | 0.666667 | 0.906667 |
66 | QA7 | 0.666667 | 0.894737 |
67 | 00A | 0.662921 | 0.883117 |
68 | ADP PO3 | 0.662651 | 0.943662 |
69 | RBY | 0.662651 | 0.932432 |
70 | ADV | 0.662651 | 0.932432 |
71 | ATP MG | 0.662651 | 0.943662 |
72 | BIS | 0.659341 | 0.933333 |
73 | 5SV | 0.659091 | 0.848101 |
74 | OOB | 0.659091 | 0.931507 |
75 | 8QN | 0.659091 | 0.931507 |
76 | GTA | 0.65625 | 0.886076 |
77 | KMQ | 0.655914 | 0.932432 |
78 | BEF ADP | 0.654762 | 0.917808 |
79 | UP5 | 0.653061 | 0.92 |
80 | AMO | 0.651685 | 0.932432 |
81 | PAJ | 0.651685 | 0.884615 |
82 | VO4 ADP | 0.651163 | 0.945205 |
83 | 2A5 | 0.650602 | 0.918919 |
84 | MAP | 0.647727 | 0.945946 |
85 | 3AT | 0.647059 | 0.971831 |
86 | AHX | 0.644444 | 0.896104 |
87 | DLL | 0.644444 | 0.931507 |
88 | ATR | 0.642857 | 0.971429 |
89 | PAP | 0.642857 | 0.985714 |
90 | PTJ | 0.641304 | 0.896104 |
91 | V2G | 0.639535 | 0.896104 |
92 | 7D3 | 0.6375 | 0.905405 |
93 | 3UK | 0.637363 | 0.918919 |
94 | SON | 0.634146 | 0.932432 |
95 | A4P | 0.633663 | 0.843373 |
96 | ANP MG | 0.632184 | 0.931507 |
97 | ALF ADP | 0.632184 | 0.87013 |
98 | LAD | 0.630435 | 0.860759 |
99 | PR8 | 0.630435 | 0.85 |
100 | B5V | 0.630435 | 0.906667 |
101 | WAQ | 0.630435 | 0.883117 |
102 | AFH | 0.628866 | 0.884615 |
103 | LMS | 0.628205 | 0.82716 |
104 | DTP | 0.627907 | 0.905405 |
105 | GAP | 0.627907 | 0.893333 |
106 | TXA | 0.623656 | 0.932432 |
107 | ME8 | 0.623656 | 0.839506 |
108 | NB8 | 0.623656 | 0.896104 |
109 | 1ZZ | 0.623656 | 0.839506 |
110 | FYA | 0.623656 | 0.905405 |
111 | DQV | 0.622449 | 0.958333 |
112 | T5A | 0.621359 | 0.841463 |
113 | XYA | 0.619718 | 0.84507 |
114 | RAB | 0.619718 | 0.84507 |
115 | ADN | 0.619718 | 0.84507 |
116 | DAL AMP | 0.611111 | 0.905405 |
117 | 9SN | 0.610526 | 0.871795 |
118 | 48N | 0.61 | 0.896104 |
119 | AP0 | 0.607843 | 0.896104 |
120 | 9ZD | 0.604396 | 0.907895 |
121 | 9ZA | 0.604396 | 0.907895 |
122 | B5M | 0.604167 | 0.894737 |
123 | B5Y | 0.604167 | 0.894737 |
124 | FA5 | 0.604167 | 0.906667 |
125 | NAX | 0.60396 | 0.873418 |
126 | DND | 0.60396 | 0.932432 |
127 | NAI | 0.60396 | 0.907895 |
128 | 6V0 | 0.60396 | 0.896104 |
129 | TXD | 0.60396 | 0.907895 |
130 | ADP BMA | 0.602151 | 0.918919 |
131 | A2R | 0.6 | 0.985915 |
132 | OMR | 0.598039 | 0.851852 |
133 | TXE | 0.598039 | 0.907895 |
134 | XAH | 0.597938 | 0.839506 |
135 | 7DT | 0.593023 | 0.985714 |
136 | AOC | 0.592593 | 0.821918 |
137 | L3W | 0.592233 | 0.932432 |
138 | 4UV | 0.591837 | 0.894737 |
139 | DDS | 0.590909 | 0.878378 |
140 | 139 | 0.590476 | 0.873418 |
141 | CNA | 0.584906 | 0.932432 |
142 | 6AD | 0.58427 | 0.909091 |
143 | 5AS | 0.583333 | 0.77907 |
144 | 5N5 | 0.581081 | 0.819444 |
145 | GA7 | 0.58 | 0.906667 |
146 | 4UU | 0.58 | 0.894737 |
147 | 4TC | 0.576923 | 0.896104 |
148 | ADJ | 0.575472 | 0.851852 |
149 | 5CD | 0.573333 | 0.805556 |
150 | A4D | 0.573333 | 0.819444 |
151 | RGT | 0.571429 | 0.958904 |
152 | A3P | 0.571429 | 0.971429 |
153 | 7D5 | 0.56962 | 0.878378 |
154 | LAQ | 0.568627 | 0.839506 |
155 | NO7 | 0.565217 | 0.932432 |
156 | F2R | 0.564815 | 0.864198 |
157 | 80F | 0.563636 | 0.841463 |
158 | CUU | 0.563218 | 0.971831 |
159 | YLP | 0.563107 | 0.819277 |
160 | UPA | 0.561905 | 0.907895 |
161 | AV2 | 0.56044 | 0.917808 |
162 | COD | 0.559633 | 0.811765 |
163 | 4UW | 0.557692 | 0.860759 |
164 | JB6 | 0.556701 | 0.883117 |
165 | 3AM | 0.555556 | 0.929577 |
166 | ATP A | 0.555556 | 0.930556 |
167 | ATP A A A | 0.555556 | 0.930556 |
168 | A2P | 0.552941 | 0.957143 |
169 | TYM | 0.552381 | 0.906667 |
170 | NA7 | 0.552083 | 0.958904 |
171 | EP4 | 0.551282 | 0.753247 |
172 | MYR AMP | 0.55102 | 0.817073 |
173 | PPS | 0.549451 | 0.873418 |
174 | YLB | 0.54717 | 0.819277 |
175 | YLC | 0.54717 | 0.839506 |
176 | DAT | 0.545455 | 0.905405 |
177 | NAD | 0.545455 | 0.931507 |
178 | H1Q | 0.545455 | 0.90411 |
179 | G5A | 0.544444 | 0.77907 |
180 | DTA | 0.544304 | 0.786667 |
181 | M2T | 0.544304 | 0.734177 |
182 | 3DH | 0.54321 | 0.773333 |
183 | 128 | 0.542857 | 0.776471 |
184 | AHZ | 0.538462 | 0.817073 |
185 | SSA | 0.537634 | 0.8 |
186 | GTP | 0.537634 | 0.92 |
187 | MTA | 0.5375 | 0.773333 |
188 | IOT | 0.537037 | 0.831325 |
189 | A3D | 0.535714 | 0.918919 |
190 | AR6 AR6 | 0.533981 | 0.917808 |
191 | ARG AMP | 0.533981 | 0.829268 |
192 | 7MD | 0.533981 | 0.8625 |
193 | YLA | 0.53211 | 0.819277 |
194 | IMO | 0.529412 | 0.929577 |
195 | AMP DBH | 0.529412 | 0.893333 |
196 | TAD | 0.528846 | 0.884615 |
197 | AYB | 0.527273 | 0.809524 |
198 | HDV | 0.526882 | 0.893333 |
199 | A5A | 0.526882 | 0.807229 |
200 | TSB | 0.526316 | 0.819277 |
201 | EAD | 0.525424 | 0.873418 |
202 | 2AM | 0.52439 | 0.943662 |
203 | 6RE | 0.52381 | 0.759494 |
204 | 6MZ | 0.523256 | 0.930556 |
205 | 7DD | 0.522727 | 0.985714 |
206 | CZF | 0.521739 | 0.931507 |
207 | V3L | 0.521739 | 0.971831 |
208 | AVV | 0.520833 | 0.896104 |
209 | BTX | 0.517857 | 0.841463 |
210 | NAE | 0.517241 | 0.894737 |
211 | QBQ | 0.516129 | 0.906667 |
212 | 52H | 0.515789 | 0.77907 |
213 | VMS | 0.515789 | 0.788235 |
214 | 54H | 0.515789 | 0.788235 |
215 | NSS | 0.515464 | 0.8 |
216 | BT5 | 0.513274 | 0.831325 |
217 | NAQ | 0.512821 | 0.871795 |
218 | ZAS | 0.511905 | 0.766234 |
219 | A3N | 0.511628 | 0.786667 |
220 | J7C | 0.511628 | 0.769231 |
221 | 5X8 | 0.511111 | 0.763158 |
222 | 5CA | 0.510417 | 0.8 |
223 | 53H | 0.510417 | 0.77907 |
224 | 8X1 | 0.510417 | 0.752809 |
225 | NVA LMS | 0.510204 | 0.752809 |
226 | ARU | 0.510204 | 0.860759 |
227 | ALF ADP 3PG | 0.509259 | 0.8375 |
228 | AF3 ADP 3PG | 0.509259 | 0.8375 |
229 | 38V | 0.508475 | 0.886076 |
230 | ZID | 0.508475 | 0.918919 |
231 | P1H | 0.508197 | 0.851852 |
232 | OVE | 0.505882 | 0.905405 |
233 | S4M | 0.505747 | 0.666667 |
234 | LEU LMS | 0.50505 | 0.730337 |
235 | LPA AMP | 0.504673 | 0.817073 |
236 | NAD TDB | 0.504587 | 0.917808 |
237 | 7MC | 0.504587 | 0.841463 |
238 | NAD IBO | 0.504587 | 0.917808 |
239 | D4F | 0.504274 | 0.839506 |
240 | P5A | 0.5 | 0.744444 |
241 | DZD | 0.5 | 0.884615 |
242 | DSZ | 0.5 | 0.8 |
243 | MAO | 0.5 | 0.759036 |
244 | DSH | 0.5 | 0.725 |
245 | LSS | 0.5 | 0.761364 |
246 | FB0 | 0.5 | 0.804598 |
247 | NDE | 0.495935 | 0.932432 |
248 | N0B | 0.495798 | 0.819277 |
249 | M24 | 0.495726 | 0.85 |
250 | YLY | 0.495726 | 0.809524 |
251 | NJP | 0.495575 | 0.945946 |
252 | 9K8 | 0.49505 | 0.714286 |
253 | MGP | 0.494737 | 0.884615 |
254 | 6C6 | 0.494624 | 0.881579 |
255 | O02 | 0.494624 | 0.921053 |
256 | NWW | 0.493671 | 0.760563 |
257 | NAJ PZO | 0.491379 | 0.848101 |
258 | 0WD | 0.491228 | 0.921053 |
259 | 6G0 | 0.489583 | 0.884615 |
260 | GJV | 0.488636 | 0.75 |
261 | 6FA | 0.488189 | 0.841463 |
262 | 5AD | 0.486842 | 0.746479 |
263 | KAA | 0.485149 | 0.752809 |
264 | GSU | 0.485149 | 0.77907 |
265 | 71V | 0.483146 | 0.907895 |
266 | NEC | 0.482759 | 0.746667 |
267 | A3G | 0.482759 | 0.8 |
268 | ODP | 0.482456 | 0.909091 |
269 | K3K | 0.480769 | 0.802632 |
270 | FAS | 0.48062 | 0.851852 |
271 | FAD | 0.48062 | 0.851852 |
272 | 7D7 | 0.480519 | 0.743243 |
273 | FDA | 0.480315 | 0.833333 |
274 | N6P | 0.48 | 0.915493 |
275 | 2SA | 0.479167 | 0.932432 |
276 | GP3 | 0.478723 | 0.921053 |
277 | AMP NAD | 0.478261 | 0.905405 |
278 | SFG | 0.478261 | 0.75 |
279 | 4TA | 0.478261 | 0.807229 |
280 | NDP | 0.477876 | 0.921053 |
281 | NPW | 0.477876 | 0.886076 |
282 | LQJ | 0.47619 | 0.917808 |
283 | NDC | 0.47619 | 0.871795 |
284 | YSA | 0.47619 | 0.77907 |
285 | NAJ PYZ | 0.475 | 0.807229 |
286 | MGO | 0.474227 | 0.860759 |
287 | NZQ | 0.473684 | 0.909091 |
288 | TXP | 0.473684 | 0.921053 |
289 | 6IA | 0.473684 | 0.8375 |
290 | GDP | 0.473684 | 0.92 |
291 | A7D | 0.472527 | 0.776316 |
292 | J4G | 0.470588 | 0.92 |
293 | SFD | 0.469231 | 0.734043 |
294 | SA8 | 0.468085 | 0.707317 |
295 | A5D | 0.468085 | 0.786667 |
296 | ZDA | 0.468085 | 0.864865 |
297 | 12D | 0.46789 | 0.785714 |
298 | PGS | 0.467391 | 0.883117 |
299 | MHZ | 0.467391 | 0.697674 |
300 | 8PZ | 0.466667 | 0.8 |
301 | 62F | 0.466165 | 0.8625 |
302 | D5M | 0.465909 | 0.878378 |
303 | DA | 0.465909 | 0.878378 |
304 | GGZ | 0.464646 | 0.825 |
305 | SAH | 0.463158 | 0.74359 |
306 | SAI | 0.463158 | 0.734177 |
307 | FAY | 0.462687 | 0.8625 |
308 | Y3J | 0.4625 | 0.726027 |
309 | B1U | 0.462264 | 0.736264 |
310 | PO4 PO4 A A A A PO4 | 0.460784 | 0.902778 |
311 | AAM | 0.460674 | 0.971429 |
312 | RFL | 0.459259 | 0.821429 |
313 | SMM | 0.459184 | 0.686047 |
314 | HF7 | 0.459184 | 0.893333 |
315 | C2R | 0.458824 | 0.90411 |
316 | AMZ | 0.458824 | 0.916667 |
317 | SAM | 0.458333 | 0.690476 |
318 | K3E | 0.457944 | 0.792208 |
319 | A3S | 0.456522 | 0.810811 |
320 | FNK | 0.455224 | 0.804598 |
321 | 7C5 | 0.453704 | 0.818182 |
322 | AAT | 0.453608 | 0.707317 |
323 | EEM | 0.453608 | 0.690476 |
324 | NWQ | 0.453488 | 0.739726 |
325 | XNP | 0.452991 | 0.873418 |
326 | PRT | 0.45283 | 0.931507 |
327 | K2R | 0.451923 | 0.88 |
328 | AIR | 0.451219 | 0.901408 |
329 | 62X | 0.45098 | 0.666667 |
330 | KOY | 0.45045 | 0.802632 |
331 | GSP | 0.45 | 0.873418 |
332 | ETB | 0.45 | 0.833333 |
333 | DCA | 0.45 | 0.823529 |
334 | N5O | 0.449438 | 0.763158 |
335 | NIA | 0.448276 | 0.822785 |
336 | A3T | 0.446809 | 0.821918 |
337 | K15 | 0.446602 | 0.682353 |
338 | PUA | 0.446281 | 0.884615 |
339 | QXP | 0.445545 | 0.785714 |
340 | 6K6 | 0.445545 | 0.930556 |
341 | GEK | 0.445545 | 0.7375 |
342 | 4YB | 0.445455 | 0.761364 |
343 | V47 | 0.444444 | 0.783784 |
344 | S7M | 0.444444 | 0.690476 |
345 | DG1 | 0.443548 | 0.921053 |
346 | 1DG | 0.443548 | 0.921053 |
347 | Z5A | 0.443548 | 0.77907 |
348 | COA | 0.442623 | 0.823529 |
349 | 0T1 | 0.442623 | 0.823529 |
350 | WSA | 0.442478 | 0.788235 |
351 | 8BR | 0.43956 | 0.906667 |
352 | N5A | 0.43956 | 0.736842 |
353 | DZ4 | 0.438776 | 0.881579 |
354 | 8Q2 | 0.438596 | 0.772727 |
355 | 101 | 0.438202 | 0.878378 |
356 | IDP | 0.4375 | 0.918919 |
357 | NVA 2AD | 0.4375 | 0.759494 |
358 | 9JJ | 0.435714 | 0.8625 |
359 | KY2 | 0.435644 | 0.731707 |
360 | NAP | 0.435484 | 0.945205 |
361 | K2W | 0.435185 | 0.740741 |
362 | APU | 0.434783 | 0.894737 |
363 | 7RP | 0.433333 | 0.928571 |
364 | QXG | 0.432692 | 0.776471 |
365 | A6D | 0.432692 | 0.722892 |
366 | TAP | 0.432 | 0.907895 |
367 | AMX | 0.432 | 0.833333 |
368 | COS | 0.432 | 0.804598 |
369 | CAO | 0.432 | 0.795455 |
370 | J7V | 0.432 | 0.833333 |
371 | 30N | 0.432 | 0.752688 |
372 | V1N | 0.431193 | 0.917808 |
373 | KL2 | 0.430233 | 0.837838 |
374 | K38 | 0.429907 | 0.779221 |
375 | 649 | 0.429825 | 0.744444 |
376 | P5F | 0.429577 | 0.823529 |
377 | NA0 | 0.428571 | 0.932432 |
378 | 7RA | 0.428571 | 0.957747 |
379 | SCO | 0.428571 | 0.823529 |
380 | R2V | 0.428571 | 0.785714 |
381 | CMX | 0.428571 | 0.823529 |
382 | 0UM | 0.427184 | 0.698795 |
383 | KYB | 0.427184 | 0.731707 |
384 | GAV | 0.427184 | 0.884615 |
385 | 1RB | 0.426966 | 0.885714 |
386 | QQY | 0.426966 | 0.815789 |
387 | ACK | 0.426966 | 0.861111 |
388 | GCP | 0.425743 | 0.896104 |
389 | G1R | 0.425743 | 0.907895 |
390 | ACO | 0.425197 | 0.795455 |
391 | FCX | 0.425197 | 0.795455 |
392 | FAM | 0.425197 | 0.804598 |
393 | OZP | 0.424779 | 0.728395 |
394 | O05 | 0.424528 | 0.843373 |
395 | GNH | 0.424242 | 0.907895 |
396 | F2N | 0.423611 | 0.813953 |
397 | K2H | 0.423077 | 0.75641 |
398 | GKE | 0.422018 | 0.884615 |
399 | GDC | 0.422018 | 0.884615 |
400 | K3H | 0.422018 | 0.75 |
401 | GDD | 0.422018 | 0.884615 |
402 | KYE | 0.422018 | 0.714286 |
403 | HAX | 0.421875 | 0.804598 |
404 | 3AD | 0.421687 | 0.805556 |
405 | 9GM | 0.421569 | 0.896104 |
406 | GNP | 0.421569 | 0.896104 |
407 | FA9 | 0.42069 | 0.864198 |
408 | TM1 | 0.420561 | 0.77381 |
409 | KY5 | 0.420561 | 0.725 |
410 | KB1 | 0.420561 | 0.698795 |
411 | 9BG | 0.420168 | 0.896104 |
412 | H6Y | 0.42 | 0.945205 |
413 | 2MC | 0.419847 | 0.769231 |
414 | KXW | 0.419643 | 0.707317 |
415 | FYN | 0.418605 | 0.823529 |
416 | 3KK | 0.418605 | 0.804598 |
417 | S8M | 0.417476 | 0.759494 |
418 | 7L1 | 0.417323 | 0.795455 |
419 | 26A | 0.416667 | 0.763158 |
420 | 2VA | 0.416667 | 0.8 |
421 | NHD | 0.416667 | 0.905405 |
422 | HZ2 | 0.415929 | 0.731707 |
423 | QQX | 0.41573 | 0.805195 |
424 | CA6 | 0.415385 | 0.729167 |
425 | OXK | 0.415385 | 0.804598 |
426 | MCD | 0.415385 | 0.804598 |
427 | SOP | 0.415385 | 0.804598 |
428 | COK | 0.415385 | 0.804598 |
429 | YZS | 0.415385 | 0.729167 |
430 | KGP | 0.415385 | 0.729167 |
431 | KY8 | 0.415094 | 0.728395 |
432 | K2K | 0.415094 | 0.7375 |
433 | FAJ | 0.414966 | 0.831325 |
434 | NX8 | 0.414141 | 0.716049 |
435 | Q34 | 0.413793 | 0.674419 |
436 | YE1 | 0.413534 | 0.813953 |
437 | RMB | 0.413043 | 0.873239 |
438 | FAI | 0.413043 | 0.916667 |
439 | AS | 0.413043 | 0.833333 |
440 | CO6 | 0.412214 | 0.804598 |
441 | 1VU | 0.412214 | 0.795455 |
442 | NMX | 0.412214 | 0.76087 |
443 | CMC | 0.412214 | 0.804598 |
444 | SXZ | 0.411215 | 0.710843 |
445 | ANZ | 0.410714 | 0.8 |
446 | SCA | 0.410448 | 0.804598 |
447 | SCD | 0.409091 | 0.823529 |
448 | CAJ | 0.409091 | 0.804598 |
449 | NAD BBN | 0.408759 | 0.841463 |
450 | HY8 | 0.408696 | 0.731707 |
451 | EO7 | 0.408602 | 0.788235 |
452 | D3Y | 0.407767 | 0.789474 |
453 | CC5 | 0.407407 | 0.816901 |
454 | KGA | 0.407407 | 0.744681 |
455 | KH3 | 0.40708 | 0.674419 |
456 | PLP AAD | 0.406504 | 0.733333 |
457 | SLU | 0.406504 | 0.770115 |
458 | G | 0.40625 | 0.906667 |
459 | 5GP | 0.40625 | 0.906667 |
460 | MLC | 0.406015 | 0.804598 |
461 | KGJ | 0.406015 | 0.752688 |
462 | 1HE | 0.406015 | 0.786517 |
463 | 3HC | 0.406015 | 0.813953 |
464 | A1S | 0.406015 | 0.804598 |
465 | IVC | 0.406015 | 0.813953 |
466 | BCO | 0.406015 | 0.804598 |
467 | GTG | 0.405405 | 0.886076 |
468 | NMN AMP PO4 | 0.404959 | 0.87013 |
469 | Q2P | 0.404959 | 0.674419 |
470 | 3D1 | 0.404762 | 0.773333 |
471 | 3L1 | 0.404762 | 0.773333 |
472 | 2BA | 0.404255 | 0.915493 |
473 | CMP | 0.404255 | 0.901408 |
474 | VRT | 0.40404 | 0.769231 |
475 | SO8 | 0.40404 | 0.789474 |
476 | MCA | 0.402985 | 0.795455 |
477 | COO | 0.402985 | 0.804598 |
478 | CAA | 0.402985 | 0.813953 |
479 | SO5 | 0.402985 | 0.721649 |
480 | LCV | 0.402985 | 0.721649 |
481 | NAD CJ3 | 0.402878 | 0.811765 |
482 | 3NZ | 0.401869 | 0.782051 |
483 | G2R | 0.401869 | 0.884615 |
484 | YXS | 0.4 | 0.729167 |
485 | 2CP | 0.4 | 0.795455 |
486 | 2FA | 0.4 | 0.813333 |
487 | YXR | 0.4 | 0.729167 |
488 | ZZB | 0.4 | 0.77381 |
489 | MC4 | 0.4 | 0.76087 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | 4JE | 0.9992 |
2 | 3W8 | 0.9903 |
3 | Z13 | 0.9827 |
4 | 4JC | 0.9677 |
5 | 4NM | 0.9647 |
6 | A7N | 0.9641 |
7 | A98 | 0.9634 |
8 | 3W3 | 0.9623 |
9 | 3W6 | 0.9622 |
10 | KBZ | 0.9584 |
11 | S0E | 0.9558 |
12 | VD9 | 0.9534 |
13 | I3E | 0.9528 |
14 | 6KT | 0.9525 |
15 | 3UF | 0.9496 |
16 | ANN | 0.9493 |
17 | SNO | 0.9484 |
18 | M4S | 0.9475 |
19 | 5LA | 0.9474 |
20 | RNO | 0.9465 |
21 | 4BZ | 0.9457 |
22 | PNZ | 0.9456 |
23 | P9E | 0.9450 |
24 | RYV | 0.9450 |
25 | AZM | 0.9448 |
26 | BPN | 0.9447 |
27 | E5X | 0.9444 |
28 | UNJ | 0.9427 |
29 | K4V | 0.9424 |
30 | N4E | 0.9411 |
31 | EUE | 0.9404 |
32 | DVQ | 0.9403 |
33 | 3ZB | 0.9394 |
34 | 4BY | 0.9390 |
35 | AAN | 0.9374 |
36 | 0F3 | 0.9372 |
37 | PZM | 0.9356 |
38 | 4NZ | 0.9355 |
39 | A7H | 0.9351 |
40 | 4BL | 0.9346 |
41 | JBZ | 0.9342 |
42 | 2QC | 0.9339 |
43 | 259 | 0.9324 |
44 | 3VS | 0.9305 |
45 | ZEC | 0.9302 |
46 | FBF | 0.9293 |
47 | EZ1 | 0.9291 |
48 | 88L | 0.9289 |
49 | QIV | 0.9286 |
50 | IBP | 0.9282 |
51 | SN4 | 0.9273 |
52 | 3AE | 0.9272 |
53 | 7MW | 0.9270 |
54 | AM4 | 0.9253 |
55 | 4MB | 0.9244 |
56 | LQ2 | 0.9244 |
57 | 4CM | 0.9243 |
58 | Y3L | 0.9242 |
59 | L4K | 0.9240 |
60 | M28 | 0.9239 |
61 | S7J | 0.9236 |
62 | 8ZE | 0.9234 |
63 | AMH | 0.9231 |
64 | EE8 | 0.9230 |
65 | F4K | 0.9229 |
66 | TSU | 0.9225 |
67 | 3VX | 0.9215 |
68 | ST3 | 0.9210 |
69 | B15 | 0.9210 |
70 | PPN | 0.9207 |
71 | YI6 | 0.9203 |
72 | 36M | 0.9198 |
73 | 4NB | 0.9198 |
74 | 657 | 0.9189 |
75 | E7S | 0.9184 |
76 | TXW | 0.9182 |
77 | 86L | 0.9179 |
78 | L14 | 0.9176 |
79 | 4I8 | 0.9172 |
80 | 2FX | 0.9166 |
81 | K3D | 0.9166 |
82 | 1FD | 0.9166 |
83 | F02 | 0.9165 |
84 | RBJ | 0.9164 |
85 | 4J8 | 0.9158 |
86 | STX | 0.9155 |
87 | SSC | 0.9154 |
88 | LR5 | 0.9153 |
89 | 4NS | 0.9151 |
90 | 7FU | 0.9150 |
91 | 3R4 | 0.9149 |
92 | QBP | 0.9149 |
93 | 8WO | 0.9148 |
94 | VFG | 0.9147 |
95 | N91 | 0.9145 |
96 | 9NB | 0.9144 |
97 | AJ1 | 0.9141 |
98 | KMY | 0.9139 |
99 | 2BG | 0.9136 |
100 | 6N4 | 0.9134 |
101 | OQC | 0.9132 |
102 | KDV | 0.9129 |
103 | UA5 | 0.9129 |
104 | X0U | 0.9127 |
105 | GO2 | 0.9124 |
106 | F4E | 0.9123 |
107 | 1FE | 0.9119 |
108 | 3VQ | 0.9117 |
109 | JMG | 0.9114 |
110 | RYY | 0.9112 |
111 | EYV | 0.9112 |
112 | CPZ | 0.9109 |
113 | KLE | 0.9106 |
114 | 4NP | 0.9105 |
115 | 7O4 | 0.9099 |
116 | YRL | 0.9092 |
117 | GOE | 0.9090 |
118 | 36Y | 0.9080 |
119 | CWJ | 0.9080 |
120 | BL0 | 0.9077 |
121 | PNP | 0.9075 |
122 | 2O8 | 0.9074 |
123 | BPW | 0.9073 |
124 | 1F1 | 0.9073 |
125 | C1M | 0.9073 |
126 | 6FB | 0.9073 |
127 | 4FA | 0.9068 |
128 | RA7 | 0.9066 |
129 | J6W | 0.9065 |
130 | ZZA | 0.9064 |
131 | A5P | 0.9064 |
132 | 42J | 0.9063 |
133 | AEG | 0.9062 |
134 | SAN | 0.9061 |
135 | 94W | 0.9060 |
136 | J1K | 0.9060 |
137 | FBS | 0.9053 |
138 | KLS | 0.9052 |
139 | XIY | 0.9050 |
140 | MR1 | 0.9043 |
141 | ODK | 0.9041 |
142 | AEF | 0.9039 |
143 | AMS | 0.9036 |
144 | 717 | 0.9033 |
145 | ST2 | 0.9031 |
146 | 8V8 | 0.9024 |
147 | 4HP | 0.9024 |
148 | JAH | 0.9022 |
149 | HNT | 0.9019 |
150 | HRM | 0.9017 |
151 | SNU | 0.9015 |
152 | PRL | 0.9015 |
153 | 54Z | 0.9015 |
154 | K82 | 0.9012 |
155 | BCU | 0.9011 |
156 | PQZ | 0.9007 |
157 | 2A9 | 0.9004 |
158 | 1A5 | 0.9004 |
159 | 12T | 0.9004 |
160 | 363 | 0.9004 |
161 | AJG | 0.9004 |
162 | MSR | 0.9003 |
163 | 1OS | 0.9002 |
164 | NAG | 0.9001 |
165 | VC3 | 0.9000 |
166 | 428 | 0.9000 |
167 | K97 | 0.8998 |
168 | 0NX | 0.8996 |
169 | 549 | 0.8990 |
170 | MAJ | 0.8990 |
171 | EYJ | 0.8989 |
172 | SKF | 0.8987 |
173 | 6FZ | 0.8986 |
174 | 3XR | 0.8983 |
175 | JA5 | 0.8983 |
176 | HC4 | 0.8983 |
177 | HDH | 0.8981 |
178 | XCG | 0.8980 |
179 | ESX | 0.8980 |
180 | 5TT | 0.8976 |
181 | AAS | 0.8971 |
182 | FCR | 0.8966 |
183 | LR8 | 0.8964 |
184 | 80G | 0.8963 |
185 | Z82 | 0.8962 |
186 | ZHA | 0.8961 |
187 | MD6 | 0.8958 |
188 | TZF | 0.8958 |
189 | 1EB | 0.8957 |
190 | ITE | 0.8956 |
191 | DHY | 0.8955 |
192 | OHJ | 0.8951 |
193 | L1O | 0.8951 |
194 | NFM | 0.8950 |
195 | EVF | 0.8949 |
196 | SW7 | 0.8949 |
197 | ATX | 0.8948 |
198 | TAG | 0.8948 |
199 | 5RP | 0.8947 |
200 | 0UL | 0.8946 |
201 | A5E | 0.8942 |
202 | PQM | 0.8942 |
203 | MS9 | 0.8940 |
204 | K7H | 0.8939 |
205 | YPN | 0.8939 |
206 | 9R5 | 0.8938 |
207 | TYL | 0.8937 |
208 | 0HO | 0.8937 |
209 | LO1 | 0.8933 |
210 | PBZ | 0.8933 |
211 | 3N1 | 0.8930 |
212 | 492 | 0.8927 |
213 | TFM | 0.8927 |
214 | DER | 0.8925 |
215 | R5P | 0.8924 |
216 | 5SP | 0.8924 |
217 | 27K | 0.8924 |
218 | 0HN | 0.8923 |
219 | E4P | 0.8922 |
220 | 15E | 0.8917 |
221 | NOK | 0.8917 |
222 | 4JL | 0.8917 |
223 | DEZ | 0.8916 |
224 | JAW | 0.8916 |
225 | 5H6 | 0.8916 |
226 | NF3 | 0.8915 |
227 | JB8 | 0.8913 |
228 | L15 | 0.8913 |
229 | HBD | 0.8912 |
230 | N1E | 0.8909 |
231 | AC6 | 0.8909 |
232 | DJN | 0.8906 |
233 | 4MA | 0.8904 |
234 | P81 | 0.8904 |
235 | JDN | 0.8904 |
236 | PHB | 0.8903 |
237 | C2B | 0.8902 |
238 | NPO | 0.8902 |
239 | OTR | 0.8901 |
240 | 6NI | 0.8900 |
241 | PAB | 0.8898 |
242 | N2I | 0.8897 |
243 | LDP | 0.8893 |
244 | OW7 | 0.8892 |
245 | ICB | 0.8890 |
246 | 36E | 0.8890 |
247 | 5NI | 0.8887 |
248 | 3A9 | 0.8887 |
249 | RES | 0.8887 |
250 | EZL | 0.8885 |
251 | BCH | 0.8884 |
252 | R9Y | 0.8881 |
253 | LPK | 0.8879 |
254 | SWX | 0.8876 |
255 | 2HU | 0.8873 |
256 | FBA | 0.8871 |
257 | 72D | 0.8870 |
258 | BZ2 | 0.8869 |
259 | GWM | 0.8867 |
260 | G14 | 0.8866 |
261 | EPR | 0.8866 |
262 | CLW | 0.8865 |
263 | P72 | 0.8860 |
264 | 4AF | 0.8859 |
265 | 5OO | 0.8855 |
266 | LNR | 0.8855 |
267 | SLS | 0.8850 |
268 | 2ZM | 0.8850 |
269 | MP5 | 0.8850 |
270 | 4YO | 0.8849 |
271 | 3C4 | 0.8848 |
272 | 1P8 | 0.8846 |
273 | EG0 | 0.8846 |
274 | 4SX | 0.8846 |
275 | EFF | 0.8845 |
276 | 4RU | 0.8844 |
277 | 4BX | 0.8841 |
278 | APS | 0.8841 |
279 | 15N | 0.8840 |
280 | 6NT | 0.8839 |
281 | M1T | 0.8838 |
282 | W81 | 0.8838 |
283 | EYY | 0.8837 |
284 | 4CN | 0.8837 |
285 | TMG | 0.8836 |
286 | TID | 0.8835 |
287 | AN3 | 0.8833 |
288 | 8NB | 0.8833 |
289 | 8XL | 0.8833 |
290 | 4WL | 0.8833 |
291 | R52 | 0.8832 |
292 | PQS | 0.8831 |
293 | 1Y6 | 0.8829 |
294 | FUD | 0.8825 |
295 | IAC | 0.8824 |
296 | LLH | 0.8822 |
297 | 535 | 0.8822 |
298 | X0V | 0.8820 |
299 | DXP | 0.8819 |
300 | 0JD | 0.8819 |
301 | 92G | 0.8819 |
302 | ES2 | 0.8819 |
303 | PBN | 0.8817 |
304 | 3NY | 0.8816 |
305 | 7N8 | 0.8816 |
306 | ODO | 0.8816 |
307 | GJP | 0.8815 |
308 | 3QV | 0.8815 |
309 | 2HC | 0.8814 |
310 | I2E | 0.8814 |
311 | 0TU | 0.8812 |
312 | GVY | 0.8811 |
313 | PFL | 0.8811 |
314 | 6P3 | 0.8810 |
315 | ALE | 0.8809 |
316 | R7T | 0.8808 |
317 | NK5 | 0.8807 |
318 | A2G | 0.8806 |
319 | S24 | 0.8803 |
320 | N7I | 0.8803 |
321 | HHH | 0.8800 |
322 | 1M2 | 0.8798 |
323 | 5TY | 0.8797 |
324 | CFA | 0.8797 |
325 | A6W | 0.8796 |
326 | 5GT | 0.8795 |
327 | ABI | 0.8794 |
328 | PTB | 0.8790 |
329 | B1J | 0.8789 |
330 | TYE | 0.8789 |
331 | PHE | 0.8788 |
332 | PPT | 0.8788 |
333 | PH3 | 0.8786 |
334 | ARP | 0.8785 |
335 | 9BF | 0.8782 |
336 | A5Q | 0.8782 |
337 | 2WU | 0.8780 |
338 | FF2 | 0.8779 |
339 | 174 | 0.8778 |
340 | S7S | 0.8778 |
341 | S98 | 0.8777 |
342 | TGX | 0.8775 |
343 | DZA | 0.8774 |
344 | AHC | 0.8773 |
345 | GXY | 0.8773 |
346 | 2BX | 0.8772 |
347 | 5XC | 0.8771 |
348 | 3DM | 0.8770 |
349 | 9FH | 0.8767 |
350 | 826 | 0.8764 |
351 | CIY | 0.8763 |
352 | L1Q | 0.8759 |
353 | MQN | 0.8758 |
354 | HPP | 0.8757 |
355 | J38 | 0.8753 |
356 | L1T | 0.8753 |
357 | BNF | 0.8751 |
358 | PUE | 0.8751 |
359 | 1X4 | 0.8750 |
360 | SRO | 0.8749 |
361 | 8CC | 0.8748 |
362 | BQ2 | 0.8748 |
363 | CUW | 0.8748 |
364 | 4P5 | 0.8748 |
365 | 27B | 0.8747 |
366 | FDR | 0.8747 |
367 | 2PK | 0.8746 |
368 | J9N | 0.8743 |
369 | 9ZE | 0.8741 |
370 | RSV | 0.8739 |
371 | ESP | 0.8737 |
372 | 1SA | 0.8737 |
373 | IOS | 0.8736 |
374 | NDG | 0.8735 |
375 | KOJ | 0.8735 |
376 | HX4 | 0.8734 |
377 | E79 | 0.8734 |
378 | JND | 0.8734 |
379 | OOG | 0.8734 |
380 | FHV | 0.8733 |
381 | 1Z6 | 0.8732 |
382 | HHS | 0.8732 |
383 | 36R | 0.8731 |
384 | MKN | 0.8730 |
385 | M4N | 0.8728 |
386 | SYE | 0.8728 |
387 | THA | 0.8727 |
388 | EUH | 0.8727 |
389 | 152 | 0.8725 |
390 | SOR | 0.8725 |
391 | RKV | 0.8721 |
392 | 258 | 0.8721 |
393 | 3HG | 0.8715 |
394 | HBA | 0.8715 |
395 | 4ZA | 0.8714 |
396 | 8D6 | 0.8714 |
397 | 4TU | 0.8713 |
398 | IWT | 0.8713 |
399 | IPB | 0.8712 |
400 | 4AA | 0.8711 |
401 | EKZ | 0.8711 |
402 | IFP | 0.8710 |
403 | KJU | 0.8709 |
404 | C53 | 0.8709 |
405 | XUL | 0.8708 |
406 | DHB | 0.8708 |
407 | 4JQ | 0.8708 |
408 | BHQ | 0.8705 |
409 | IOP | 0.8704 |
410 | OLU | 0.8700 |
411 | GF4 | 0.8700 |
412 | M78 | 0.8699 |
413 | EN1 | 0.8698 |
414 | 4VP | 0.8692 |
415 | CSN | 0.8692 |
416 | KTJ | 0.8692 |
417 | L03 | 0.8691 |
418 | 3HM | 0.8690 |
419 | FZM | 0.8690 |
420 | DDU | 0.8690 |
421 | INO | 0.8689 |
422 | 2PV | 0.8688 |
423 | 4V2 | 0.8688 |
424 | HMH | 0.8687 |
425 | 68A | 0.8687 |
426 | S60 | 0.8686 |
427 | SG3 | 0.8685 |
428 | 7EH | 0.8684 |
429 | JLZ | 0.8679 |
430 | 5O6 | 0.8675 |
431 | PGH | 0.8674 |
432 | FA0 | 0.8674 |
433 | KMH | 0.8674 |
434 | GLO | 0.8673 |
435 | GB5 | 0.8672 |
436 | 6RQ | 0.8672 |
437 | 9GB | 0.8672 |
438 | 5GU | 0.8670 |
439 | NYL | 0.8667 |
440 | 13P | 0.8667 |
441 | BBK | 0.8667 |
442 | E3X | 0.8666 |
443 | CS2 | 0.8665 |
444 | BGU | 0.8664 |
445 | NSP | 0.8664 |
446 | 4FH | 0.8664 |
447 | GZQ | 0.8663 |
448 | PH2 | 0.8662 |
449 | 449 | 0.8662 |
450 | X1R | 0.8661 |
451 | FHC | 0.8659 |
452 | NGA | 0.8658 |
453 | ENO | 0.8658 |
454 | YE6 | 0.8655 |
455 | HHI | 0.8653 |
456 | A5H | 0.8651 |
457 | NPA | 0.8651 |
458 | M25 | 0.8650 |
459 | 1OT | 0.8650 |
460 | 9VQ | 0.8649 |
461 | 93K | 0.8649 |
462 | 54E | 0.8649 |
463 | 4NC | 0.8648 |
464 | 5RD | 0.8647 |
465 | TWO | 0.8646 |
466 | F1A | 0.8646 |
467 | VGS | 0.8646 |
468 | S62 | 0.8646 |
469 | VGD | 0.8645 |
470 | FER | 0.8645 |
471 | DOB | 0.8643 |
472 | DHI | 0.8642 |
473 | DMA | 0.8642 |
474 | IPE | 0.8640 |
475 | ZZT | 0.8640 |
476 | 2HO | 0.8640 |
477 | DVK | 0.8636 |
478 | PPY | 0.8636 |
479 | BNX | 0.8635 |
480 | CHB | 0.8634 |
481 | 4M0 | 0.8632 |
482 | JCZ | 0.8632 |
483 | 60L | 0.8630 |
484 | R1P | 0.8622 |
485 | DE5 | 0.8620 |
486 | 0FN | 0.8615 |
487 | 24B | 0.8614 |
488 | 6MW | 0.8613 |
489 | BZJ | 0.8612 |
490 | EV2 | 0.8611 |
491 | IQ5 | 0.8610 |
492 | HIS | 0.8610 |
493 | EFR | 0.8610 |
494 | SYV | 0.8606 |
495 | 61M | 0.8600 |
496 | IHB | 0.8600 |
497 | LYS | 0.8597 |
498 | SJK | 0.8597 |
499 | 2EC | 0.8597 |
500 | TRP | 0.8597 |
501 | DHC | 0.8594 |
502 | 4HM | 0.8594 |
503 | IS2 | 0.8593 |
504 | BHA | 0.8592 |
505 | P9P | 0.8580 |
506 | OVP | 0.8579 |
507 | WA1 | 0.8573 |
508 | QME | 0.8572 |
509 | URS | 0.8570 |
510 | S8A | 0.8570 |
511 | 6DH | 0.8570 |
512 | 9TW | 0.8568 |
513 | PA5 | 0.8568 |
514 | R10 | 0.8567 |
515 | XM0 | 0.8564 |
516 | 4AU | 0.8563 |
517 | 56D | 0.8560 |
518 | 4FE | 0.8559 |
519 | FOM | 0.8559 |
520 | TYR | 0.8553 |
521 | TH7 | 0.8549 |
522 | ZZZ | 0.8548 |
523 | GP9 | 0.8547 |
524 | N2M | 0.8547 |
525 | XIZ | 0.8546 |
526 | 6SD | 0.8540 |
527 | SME | 0.8536 |
528 | QSB | 0.8533 |
529 | V1T | 0.8528 |
530 | EXD | 0.8524 |
531 | BVA | 0.8514 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | ADP AF3 | 0.9964 |
2 | ADP ALF | 0.9801 |
3 | ADP VO4 | 0.9704 |
4 | BEF GDP | 0.9696 |
5 | GDP ALF | 0.9646 |
6 | GDP AF3 | 0.9633 |
7 | GDP BEF | 0.9621 |
8 | ALF GDP | 0.9621 |
9 | DBG | 0.9581 |
10 | CTP | 0.9340 |
11 | UTP | 0.9337 |
12 | GDP MG | 0.9246 |
13 | DGT | 0.9177 |
14 | DCP | 0.9141 |
15 | DCP MG | 0.9114 |
16 | 8DG | 0.9051 |
17 | MGT | 0.9049 |
18 | 6U4 | 0.8990 |
19 | 2KH | 0.8972 |
20 | MSP | 0.8951 |
21 | TTP | 0.8917 |
22 | MOD | 0.8909 |
23 | 8GT | 0.8879 |
24 | G2P | 0.8852 |
25 | DGI | 0.8847 |
26 | 2TM | 0.8819 |
27 | L3U | 0.8814 |
28 | M7G | 0.8804 |
29 | GP2 | 0.8802 |
30 | DUT | 0.8788 |
31 | UNP | 0.8786 |
32 | Y9Z | 0.8773 |
33 | F6G | 0.8769 |
34 | DUP | 0.8755 |
35 | GH3 | 0.8730 |
36 | D3T | 0.8684 |
37 | 0RC | 0.8650 |
38 | BUP | 0.8621 |
39 | DUT MG | 0.8599 |
40 | UDP | 0.8570 |
41 | TYR AMP | 0.8561 |
This union binding pocket(no: 1) in the query (biounit: 3b2q.bio1) has 8 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 3b2q.bio1) has 25 residues | |||
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No: | Leader PDB | Ligand | Sequence Similarity |