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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 6 families. | |||||
1 | 6S83 | - | MDN | C H6 O6 P2 | C(P(=O)(O).... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 3 families. | |||||
1 | 4L2Z | - | S7M | C16 H25 N6 O5 S | CC[S+](CC[.... |
2 | 4L7I | - | SAM | C15 H22 N6 O5 S | C[S@@+](CC.... |
3 | 4K0B | - | SAM | C15 H22 N6 O5 S | C[S@@+](CC.... |
4 | 6S83 | - | MDN | C H6 O6 P2 | C(P(=O)(O).... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | ACP | 1 | 1 |
2 | ACQ | 0.866667 | 1 |
3 | A2D | 0.857143 | 0.945205 |
4 | 6YZ | 0.833333 | 1 |
5 | BA3 | 0.833333 | 0.945205 |
6 | B4P | 0.821918 | 0.945205 |
7 | AP5 | 0.821918 | 0.945205 |
8 | ADP | 0.821918 | 0.972222 |
9 | AT4 | 0.810811 | 0.933333 |
10 | AN2 | 0.810811 | 0.958904 |
11 | A12 | 0.808219 | 0.986301 |
12 | AP2 | 0.808219 | 0.986301 |
13 | M33 | 0.8 | 0.932432 |
14 | HEJ | 0.789474 | 0.972222 |
15 | ATP | 0.789474 | 0.972222 |
16 | AR6 | 0.779221 | 0.945205 |
17 | 5FA | 0.779221 | 0.972222 |
18 | APR | 0.779221 | 0.945205 |
19 | AQP | 0.779221 | 0.972222 |
20 | AGS | 0.769231 | 0.921053 |
21 | AD9 | 0.769231 | 0.945946 |
22 | AMP | 0.763889 | 0.944444 |
23 | A | 0.763889 | 0.944444 |
24 | APC | 0.75641 | 0.986301 |
25 | ADX | 0.753247 | 0.851852 |
26 | CA0 | 0.753247 | 0.92 |
27 | ANP | 0.75 | 0.945946 |
28 | KG4 | 0.74359 | 0.92 |
29 | 50T | 0.74359 | 0.932432 |
30 | PRX | 0.734177 | 0.87013 |
31 | ABM | 0.733333 | 0.893333 |
32 | 45A | 0.733333 | 0.893333 |
33 | ATF | 0.731707 | 0.933333 |
34 | AMP MG | 0.72973 | 0.90411 |
35 | HQG | 0.714286 | 0.958904 |
36 | SRA | 0.706667 | 0.894737 |
37 | A22 | 0.705882 | 0.958904 |
38 | RBY | 0.703704 | 0.959459 |
39 | ADV | 0.703704 | 0.959459 |
40 | 5AL | 0.698795 | 0.906667 |
41 | 8LE | 0.698795 | 0.871795 |
42 | ADP BEF | 0.696203 | 0.917808 |
43 | ADP MG | 0.696203 | 0.917808 |
44 | A3R | 0.689655 | 0.909091 |
45 | ADQ | 0.689655 | 0.92 |
46 | A1R | 0.689655 | 0.909091 |
47 | AU1 | 0.6875 | 0.945946 |
48 | T99 | 0.686747 | 0.933333 |
49 | TAT | 0.686747 | 0.933333 |
50 | APC MG | 0.682927 | 0.918919 |
51 | SRP | 0.682353 | 0.907895 |
52 | 8LH | 0.682353 | 0.883117 |
53 | JNT | 0.681818 | 0.945946 |
54 | OAD | 0.674157 | 0.92 |
55 | 9X8 | 0.674157 | 0.896104 |
56 | 4TC | 0.673469 | 0.922078 |
57 | 4AD | 0.670455 | 0.921053 |
58 | AMO | 0.670455 | 0.933333 |
59 | 8LQ | 0.666667 | 0.907895 |
60 | QA7 | 0.666667 | 0.871795 |
61 | 00A | 0.662921 | 0.860759 |
62 | ADP PO3 | 0.662651 | 0.917808 |
63 | ATP MG | 0.662651 | 0.917808 |
64 | 3OD | 0.659341 | 0.92 |
65 | BIS | 0.659341 | 0.909091 |
66 | OOB | 0.659091 | 0.906667 |
67 | 5SV | 0.659091 | 0.82716 |
68 | 25A | 0.659091 | 0.945205 |
69 | 8QN | 0.659091 | 0.906667 |
70 | OZV | 0.659091 | 0.945205 |
71 | BEF ADP | 0.654762 | 0.893333 |
72 | SON | 0.654321 | 0.933333 |
73 | 25L | 0.652174 | 0.958904 |
74 | PAJ | 0.651685 | 0.8625 |
75 | AHX | 0.644444 | 0.897436 |
76 | DLL | 0.644444 | 0.906667 |
77 | TXA | 0.641304 | 0.907895 |
78 | V2G | 0.639535 | 0.897436 |
79 | KMQ | 0.638298 | 0.907895 |
80 | 3UK | 0.637363 | 0.894737 |
81 | VO4 ADP | 0.632184 | 0.92 |
82 | ANP MG | 0.632184 | 0.906667 |
83 | ALF ADP | 0.632184 | 0.848101 |
84 | B5V | 0.630435 | 0.883117 |
85 | PR8 | 0.630435 | 0.851852 |
86 | LAD | 0.630435 | 0.8625 |
87 | WAQ | 0.630435 | 0.884615 |
88 | MAP | 0.629214 | 0.921053 |
89 | LMS | 0.628205 | 0.807229 |
90 | GAP | 0.627907 | 0.87013 |
91 | ME8 | 0.623656 | 0.841463 |
92 | 1ZZ | 0.623656 | 0.819277 |
93 | PTJ | 0.623656 | 0.873418 |
94 | NB8 | 0.623656 | 0.897436 |
95 | FYA | 0.623656 | 0.906667 |
96 | UP5 | 0.62 | 0.896104 |
97 | G3A | 0.618557 | 0.897436 |
98 | AFH | 0.612245 | 0.886076 |
99 | G5P | 0.612245 | 0.897436 |
100 | 9SN | 0.610526 | 0.85 |
101 | DQV | 0.606061 | 0.932432 |
102 | GTA | 0.606061 | 0.864198 |
103 | 9ZA | 0.604396 | 0.884615 |
104 | 9ZD | 0.604396 | 0.884615 |
105 | B5M | 0.604167 | 0.871795 |
106 | FA5 | 0.604167 | 0.907895 |
107 | B5Y | 0.604167 | 0.871795 |
108 | TXD | 0.60396 | 0.884615 |
109 | XAH | 0.597938 | 0.841463 |
110 | RAB | 0.597222 | 0.821918 |
111 | ADN | 0.597222 | 0.821918 |
112 | XYA | 0.597222 | 0.821918 |
113 | GA7 | 0.59596 | 0.907895 |
114 | 48N | 0.594059 | 0.897436 |
115 | DAL AMP | 0.593407 | 0.881579 |
116 | 2A5 | 0.593023 | 0.92 |
117 | AOC | 0.592593 | 0.8 |
118 | 4UV | 0.591837 | 0.871795 |
119 | DND | 0.588235 | 0.907895 |
120 | NAI | 0.588235 | 0.884615 |
121 | 6V0 | 0.588235 | 0.873418 |
122 | NAX | 0.588235 | 0.875 |
123 | PAP | 0.586207 | 0.958333 |
124 | ATR | 0.586207 | 0.944444 |
125 | ADP BMA | 0.585106 | 0.894737 |
126 | LAQ | 0.584158 | 0.819277 |
127 | 5AS | 0.583333 | 0.761364 |
128 | TXE | 0.582524 | 0.884615 |
129 | OMR | 0.582524 | 0.831325 |
130 | 5N5 | 0.581081 | 0.797297 |
131 | 4UU | 0.58 | 0.871795 |
132 | 7D3 | 0.578313 | 0.881579 |
133 | AP0 | 0.576923 | 0.873418 |
134 | L3W | 0.576923 | 0.907895 |
135 | A4D | 0.573333 | 0.797297 |
136 | 5CD | 0.573333 | 0.783784 |
137 | JB6 | 0.572917 | 0.884615 |
138 | 4UW | 0.572816 | 0.839506 |
139 | A4P | 0.571429 | 0.823529 |
140 | CNA | 0.570093 | 0.907895 |
141 | ITT | 0.569767 | 0.917808 |
142 | 7D4 | 0.569767 | 0.881579 |
143 | A2R | 0.565217 | 0.958904 |
144 | M2T | 0.564103 | 0.716049 |
145 | YLP | 0.563107 | 0.821429 |
146 | O02 | 0.561798 | 0.947368 |
147 | T5A | 0.560748 | 0.843373 |
148 | ADJ | 0.560748 | 0.831325 |
149 | 139 | 0.560748 | 0.851852 |
150 | TAD | 0.558824 | 0.910256 |
151 | ATP A A A | 0.555556 | 0.905405 |
152 | ATP A | 0.555556 | 0.905405 |
153 | A3P | 0.552941 | 0.944444 |
154 | TYM | 0.552381 | 0.907895 |
155 | IOT | 0.551402 | 0.833333 |
156 | EP4 | 0.551282 | 0.734177 |
157 | MYR AMP | 0.55102 | 0.797619 |
158 | F2R | 0.550459 | 0.865854 |
159 | 7D5 | 0.55 | 0.855263 |
160 | 80F | 0.54955 | 0.843373 |
161 | A3D | 0.54955 | 0.894737 |
162 | GCP | 0.548387 | 0.922078 |
163 | YLC | 0.54717 | 0.841463 |
164 | YLB | 0.54717 | 0.821429 |
165 | UPA | 0.54717 | 0.884615 |
166 | COD | 0.545455 | 0.813953 |
167 | H1Q | 0.545455 | 0.88 |
168 | NAD | 0.545455 | 0.906667 |
169 | JSQ | 0.544444 | 0.921053 |
170 | G5A | 0.544444 | 0.781609 |
171 | HFD | 0.544444 | 0.921053 |
172 | DTA | 0.544304 | 0.766234 |
173 | 3DH | 0.54321 | 0.753247 |
174 | DZD | 0.540541 | 0.910256 |
175 | AHZ | 0.538462 | 0.797619 |
176 | MTA | 0.5375 | 0.753247 |
177 | 3AM | 0.536585 | 0.90411 |
178 | A2P | 0.534884 | 0.930556 |
179 | AR6 AR6 | 0.533981 | 0.893333 |
180 | PPS | 0.532609 | 0.851852 |
181 | 6AD | 0.532609 | 0.886076 |
182 | YLA | 0.53211 | 0.821429 |
183 | AMP DBH | 0.529412 | 0.87013 |
184 | AYB | 0.527273 | 0.811765 |
185 | A5A | 0.526882 | 0.788235 |
186 | TSB | 0.526316 | 0.8 |
187 | 6RE | 0.52381 | 0.7625 |
188 | S4M | 0.523256 | 0.670455 |
189 | 38V | 0.521368 | 0.911392 |
190 | SSA | 0.521277 | 0.802326 |
191 | NA7 | 0.520408 | 0.959459 |
192 | 7MD | 0.519231 | 0.864198 |
193 | ARG AMP | 0.519231 | 0.831325 |
194 | LPA AMP | 0.518868 | 0.797619 |
195 | BTX | 0.517857 | 0.843373 |
196 | NAE | 0.517241 | 0.871795 |
197 | 52H | 0.515789 | 0.761364 |
198 | VMS | 0.515789 | 0.770115 |
199 | NO7 | 0.515789 | 0.907895 |
200 | 54H | 0.515789 | 0.770115 |
201 | BT5 | 0.513274 | 0.833333 |
202 | NAQ | 0.512821 | 0.85 |
203 | ZAS | 0.511905 | 0.746835 |
204 | A3N | 0.511628 | 0.766234 |
205 | IMO | 0.511628 | 0.90411 |
206 | J7C | 0.511628 | 0.772152 |
207 | CUU | 0.511111 | 0.972222 |
208 | AV2 | 0.510638 | 0.893333 |
209 | 53H | 0.510417 | 0.761364 |
210 | 5CA | 0.510417 | 0.802326 |
211 | 8X1 | 0.510417 | 0.755556 |
212 | ARU | 0.510204 | 0.839506 |
213 | AF3 ADP 3PG | 0.509259 | 0.839506 |
214 | ALF ADP 3PG | 0.509259 | 0.839506 |
215 | M24 | 0.508621 | 0.829268 |
216 | ZID | 0.508475 | 0.894737 |
217 | 2AM | 0.506024 | 0.917808 |
218 | 6MZ | 0.505747 | 0.905405 |
219 | V3L | 0.505376 | 0.945205 |
220 | 3AT | 0.505376 | 0.972222 |
221 | AVV | 0.505155 | 0.897436 |
222 | NAD TDB | 0.504587 | 0.893333 |
223 | NAD IBO | 0.504587 | 0.893333 |
224 | DSZ | 0.5 | 0.802326 |
225 | EAD | 0.5 | 0.851852 |
226 | MAO | 0.5 | 0.761905 |
227 | NSS | 0.5 | 0.802326 |
228 | P5A | 0.5 | 0.747253 |
229 | DSH | 0.5 | 0.728395 |
230 | LSS | 0.5 | 0.764045 |
231 | YLY | 0.495726 | 0.811765 |
232 | 9K8 | 0.49505 | 0.698925 |
233 | NVA LMS | 0.494949 | 0.755556 |
234 | DAT | 0.494505 | 0.906667 |
235 | 5X8 | 0.494505 | 0.766234 |
236 | NWW | 0.493671 | 0.739726 |
237 | D4F | 0.491525 | 0.819277 |
238 | AMP NAD | 0.491228 | 0.881579 |
239 | 7MC | 0.490909 | 0.843373 |
240 | LEU LMS | 0.49 | 0.733333 |
241 | SMM | 0.489583 | 0.689655 |
242 | DTP | 0.489362 | 0.906667 |
243 | SAM | 0.489362 | 0.694118 |
244 | 7DD | 0.488889 | 0.958333 |
245 | GJV | 0.488636 | 0.753086 |
246 | OVE | 0.488372 | 0.881579 |
247 | 5AD | 0.486842 | 0.726027 |
248 | GSU | 0.485149 | 0.781609 |
249 | KAA | 0.485149 | 0.755556 |
250 | P1H | 0.483871 | 0.831325 |
251 | NDE | 0.483871 | 0.907895 |
252 | N0B | 0.483333 | 0.821429 |
253 | A3G | 0.482759 | 0.802632 |
254 | O05 | 0.480392 | 0.86747 |
255 | NAJ PZO | 0.478632 | 0.82716 |
256 | SFG | 0.478261 | 0.753247 |
257 | 4TA | 0.478261 | 0.809524 |
258 | NDC | 0.47619 | 0.85 |
259 | YSA | 0.47619 | 0.781609 |
260 | FB0 | 0.47619 | 0.827586 |
261 | 7DT | 0.473118 | 0.958333 |
262 | A7D | 0.472527 | 0.779221 |
263 | J4G | 0.470588 | 0.921053 |
264 | NJP | 0.469565 | 0.921053 |
265 | FDA | 0.46875 | 0.835294 |
266 | SA8 | 0.468085 | 0.710843 |
267 | A5D | 0.468085 | 0.766234 |
268 | MHZ | 0.467391 | 0.701149 |
269 | K3K | 0.466667 | 0.782051 |
270 | 8PZ | 0.466667 | 0.802326 |
271 | 71V | 0.466667 | 0.884615 |
272 | 0WD | 0.465517 | 0.897436 |
273 | 6FA | 0.465116 | 0.843373 |
274 | GGZ | 0.464646 | 0.804878 |
275 | SAI | 0.463158 | 0.7375 |
276 | SAH | 0.463158 | 0.746835 |
277 | 6C6 | 0.463158 | 0.883117 |
278 | NAJ PYZ | 0.46281 | 0.788235 |
279 | Y3J | 0.4625 | 0.706667 |
280 | B1U | 0.462264 | 0.72043 |
281 | LQJ | 0.462264 | 0.893333 |
282 | 7D7 | 0.461538 | 0.723684 |
283 | TXP | 0.46087 | 0.897436 |
284 | PO4 PO4 A A A A PO4 | 0.460784 | 0.878378 |
285 | S7M | 0.459184 | 0.694118 |
286 | 6IA | 0.458333 | 0.839506 |
287 | DDS | 0.458333 | 0.855263 |
288 | FAD | 0.458015 | 0.853659 |
289 | SFD | 0.458015 | 0.736842 |
290 | FAS | 0.458015 | 0.853659 |
291 | K3E | 0.457944 | 0.772152 |
292 | ODP | 0.456897 | 0.886076 |
293 | A3S | 0.456522 | 0.813333 |
294 | 7C5 | 0.453704 | 0.797468 |
295 | AAT | 0.453608 | 0.710843 |
296 | EEM | 0.453608 | 0.694118 |
297 | RGT | 0.45283 | 0.933333 |
298 | NPW | 0.452174 | 0.8875 |
299 | NDP | 0.452174 | 0.897436 |
300 | FAY | 0.451852 | 0.864198 |
301 | PGS | 0.451613 | 0.860759 |
302 | KOY | 0.45045 | 0.782051 |
303 | D5M | 0.449438 | 0.88 |
304 | DA | 0.449438 | 0.88 |
305 | NEC | 0.449438 | 0.727273 |
306 | 2SA | 0.44898 | 0.933333 |
307 | NIA | 0.448276 | 0.802469 |
308 | NZQ | 0.448276 | 0.910256 |
309 | A3T | 0.446809 | 0.8 |
310 | 128 | 0.446429 | 0.758621 |
311 | 6K6 | 0.445545 | 0.905405 |
312 | QXP | 0.445545 | 0.767442 |
313 | GEK | 0.445545 | 0.740741 |
314 | 4YB | 0.445455 | 0.764045 |
315 | 62F | 0.444444 | 0.864198 |
316 | FNK | 0.444444 | 0.806818 |
317 | V47 | 0.444444 | 0.763158 |
318 | AAM | 0.444444 | 0.944444 |
319 | Z5A | 0.443548 | 0.761364 |
320 | WSA | 0.442478 | 0.790698 |
321 | AMZ | 0.44186 | 0.891892 |
322 | C2R | 0.44186 | 0.88 |
323 | PLP AAD | 0.441667 | 0.717391 |
324 | 12D | 0.441441 | 0.767442 |
325 | XNP | 0.440678 | 0.851852 |
326 | RFL | 0.437956 | 0.823529 |
327 | 62X | 0.436893 | 0.670455 |
328 | N6P | 0.436893 | 0.890411 |
329 | NWQ | 0.436782 | 0.72 |
330 | AIR | 0.433735 | 0.876712 |
331 | N5O | 0.433333 | 0.766234 |
332 | GP3 | 0.43299 | 0.897436 |
333 | A6D | 0.432692 | 0.705882 |
334 | QXG | 0.432692 | 0.758621 |
335 | V1N | 0.431193 | 0.893333 |
336 | 649 | 0.429825 | 0.747253 |
337 | R2V | 0.428571 | 0.767442 |
338 | NA0 | 0.428571 | 0.907895 |
339 | GP2 | 0.428571 | 0.910256 |
340 | GDP | 0.428571 | 0.896104 |
341 | 0UM | 0.427184 | 0.702381 |
342 | KYB | 0.427184 | 0.73494 |
343 | DCA | 0.42623 | 0.825581 |
344 | ETB | 0.42623 | 0.835294 |
345 | 8Q2 | 0.426087 | 0.775281 |
346 | 9JJ | 0.425532 | 0.841463 |
347 | GNH | 0.424242 | 0.884615 |
348 | NAP | 0.424 | 0.92 |
349 | N5A | 0.423913 | 0.74026 |
350 | K2H | 0.423077 | 0.7375 |
351 | PUA | 0.422764 | 0.8625 |
352 | APU | 0.422414 | 0.871795 |
353 | 101 | 0.422222 | 0.855263 |
354 | K2W | 0.422018 | 0.743902 |
355 | 3AD | 0.421687 | 0.808219 |
356 | KY2 | 0.421569 | 0.73494 |
357 | FA9 | 0.42069 | 0.865854 |
358 | TAP | 0.420635 | 0.884615 |
359 | TM1 | 0.420561 | 0.755814 |
360 | P5F | 0.41958 | 0.825581 |
361 | 0T1 | 0.419355 | 0.825581 |
362 | COA | 0.419355 | 0.825581 |
363 | K15 | 0.419048 | 0.686047 |
364 | NYZ | 0.418367 | 0.910256 |
365 | 7RP | 0.417582 | 0.902778 |
366 | S8M | 0.417476 | 0.7625 |
367 | NHD | 0.416667 | 0.881579 |
368 | K38 | 0.416667 | 0.759494 |
369 | GTP | 0.415842 | 0.896104 |
370 | K2K | 0.415094 | 0.740741 |
371 | FAJ | 0.414966 | 0.833333 |
372 | FCX | 0.414062 | 0.797753 |
373 | KL2 | 0.413793 | 0.815789 |
374 | F2N | 0.413793 | 0.816092 |
375 | Q34 | 0.413793 | 0.678161 |
376 | 7RA | 0.413043 | 0.931507 |
377 | AS | 0.413043 | 0.835443 |
378 | G1R | 0.411765 | 0.884615 |
379 | K2R | 0.411215 | 0.881579 |
380 | SXZ | 0.411215 | 0.714286 |
381 | QQY | 0.411111 | 0.794872 |
382 | ACK | 0.411111 | 0.837838 |
383 | DZ4 | 0.41 | 0.883117 |
384 | 30N | 0.409449 | 0.755319 |
385 | 1DG | 0.409449 | 0.897436 |
386 | DG1 | 0.409449 | 0.897436 |
387 | J7V | 0.409449 | 0.813953 |
388 | AMX | 0.409449 | 0.835294 |
389 | CAO | 0.409449 | 0.797753 |
390 | COS | 0.409449 | 0.806818 |
391 | K3H | 0.409091 | 0.731707 |
392 | KYE | 0.409091 | 0.717647 |
393 | NAD BBN | 0.408759 | 0.821429 |
394 | 8BR | 0.408602 | 0.883117 |
395 | EO7 | 0.408602 | 0.770115 |
396 | 9BG | 0.408333 | 0.873418 |
397 | NVA 2AD | 0.408163 | 0.7625 |
398 | 9GM | 0.407767 | 0.873418 |
399 | D3Y | 0.407767 | 0.792208 |
400 | GSP | 0.407767 | 0.851852 |
401 | G2P | 0.407767 | 0.910256 |
402 | GNP | 0.407767 | 0.873418 |
403 | KY5 | 0.407407 | 0.728395 |
404 | CC5 | 0.407407 | 0.819444 |
405 | KB1 | 0.407407 | 0.702381 |
406 | N01 | 0.406504 | 0.881579 |
407 | SCO | 0.40625 | 0.825581 |
408 | CMX | 0.40625 | 0.825581 |
409 | HDV | 0.405941 | 0.87013 |
410 | Q2P | 0.404959 | 0.678161 |
411 | 2BA | 0.404255 | 0.890411 |
412 | CMP | 0.404255 | 0.876712 |
413 | ACO | 0.403101 | 0.797753 |
414 | FAM | 0.403101 | 0.806818 |
415 | NAD CJ3 | 0.402878 | 0.793103 |
416 | 2VA | 0.402062 | 0.779221 |
417 | KY8 | 0.401869 | 0.731707 |
418 | 3NZ | 0.401869 | 0.78481 |
419 | CZF | 0.4 | 0.906667 |
420 | HAX | 0.4 | 0.806818 |
421 | QQX | 0.4 | 0.78481 |
422 | OZP | 0.4 | 0.731707 |
423 | 26A | 0.4 | 0.74359 |
424 | NX8 | 0.4 | 0.719512 |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | SAM | 1 | 1 |
2 | SMM | 0.792683 | 0.96 |
3 | S4M | 0.6875 | 0.909091 |
4 | S7M | 0.670455 | 0.945946 |
5 | M2T | 0.636364 | 0.878378 |
6 | GEK | 0.612903 | 0.931507 |
7 | SAI | 0.571429 | 0.878378 |
8 | ADN | 0.565789 | 0.773333 |
9 | RAB | 0.565789 | 0.773333 |
10 | XYA | 0.565789 | 0.773333 |
11 | 5CD | 0.564103 | 0.783784 |
12 | EP4 | 0.5625 | 0.826667 |
13 | SA8 | 0.56044 | 0.945205 |
14 | SFG | 0.555556 | 0.875 |
15 | 5X8 | 0.555556 | 0.888889 |
16 | 5N5 | 0.551282 | 0.773333 |
17 | A4D | 0.544304 | 0.797297 |
18 | EEM | 0.542553 | 0.945946 |
19 | SAH | 0.537634 | 0.916667 |
20 | EU9 | 0.537037 | 0.809524 |
21 | DTA | 0.536585 | 0.789474 |
22 | 62X | 0.535354 | 0.884615 |
23 | MTA | 0.53012 | 0.875 |
24 | 3DH | 0.517647 | 0.849315 |
25 | AMP MG | 0.517241 | 0.7375 |
26 | 5AL | 0.510417 | 0.743902 |
27 | VMS | 0.510204 | 0.673913 |
28 | 54H | 0.510204 | 0.673913 |
29 | 0UM | 0.51 | 0.857143 |
30 | NWW | 0.506173 | 0.739726 |
31 | LMS | 0.505747 | 0.666667 |
32 | AMP | 0.505747 | 0.707317 |
33 | A | 0.505747 | 0.707317 |
34 | 45A | 0.505618 | 0.753086 |
35 | ABM | 0.505618 | 0.753086 |
36 | A5A | 0.505155 | 0.688889 |
37 | SSA | 0.5 | 0.684783 |
38 | 5AD | 0.5 | 0.75 |
39 | SON | 0.5 | 0.746988 |
40 | 6RE | 0.5 | 0.78481 |
41 | SRP | 0.5 | 0.746988 |
42 | K15 | 0.5 | 0.883117 |
43 | LSS | 0.49505 | 0.706522 |
44 | CA0 | 0.494624 | 0.714286 |
45 | AP2 | 0.494505 | 0.705882 |
46 | A12 | 0.494505 | 0.705882 |
47 | ME8 | 0.490385 | 0.841463 |
48 | TSB | 0.49 | 0.681319 |
49 | 5CA | 0.49 | 0.684783 |
50 | DAL AMP | 0.49 | 0.765432 |
51 | 53H | 0.49 | 0.666667 |
52 | ACP | 0.489362 | 0.694118 |
53 | KG4 | 0.489362 | 0.714286 |
54 | ADP | 0.48913 | 0.690476 |
55 | 5AS | 0.48913 | 0.648936 |
56 | J7C | 0.488889 | 0.772152 |
57 | A2D | 0.488889 | 0.690476 |
58 | ZAS | 0.488636 | 0.769231 |
59 | 8QN | 0.485149 | 0.743902 |
60 | 9ZD | 0.485149 | 0.729412 |
61 | 9ZA | 0.485149 | 0.729412 |
62 | 8LH | 0.484848 | 0.746988 |
63 | GAP | 0.484536 | 0.73494 |
64 | AN2 | 0.483871 | 0.682353 |
65 | A3S | 0.483871 | 0.813333 |
66 | ADP BEF | 0.483871 | 0.728395 |
67 | ADP MG | 0.483871 | 0.728395 |
68 | A7D | 0.483871 | 0.851351 |
69 | GJV | 0.483516 | 0.775 |
70 | SRA | 0.483146 | 0.694118 |
71 | GSU | 0.480769 | 0.722222 |
72 | KAA | 0.480769 | 0.698925 |
73 | LAD | 0.480769 | 0.752941 |
74 | DSZ | 0.480392 | 0.703297 |
75 | AMO | 0.480392 | 0.746988 |
76 | 52H | 0.48 | 0.666667 |
77 | 8LE | 0.479592 | 0.717647 |
78 | APC MG | 0.479167 | 0.731707 |
79 | M33 | 0.478723 | 0.722892 |
80 | BA3 | 0.478261 | 0.690476 |
81 | MAO | 0.478261 | 0.82716 |
82 | AOC | 0.477778 | 0.776316 |
83 | NEC | 0.477778 | 0.75 |
84 | DSH | 0.477778 | 0.842105 |
85 | SXZ | 0.47619 | 0.894737 |
86 | NVA LMS | 0.475728 | 0.736264 |
87 | AHX | 0.475728 | 0.701149 |
88 | Y3J | 0.47561 | 0.706667 |
89 | 8LQ | 0.475248 | 0.768293 |
90 | QA7 | 0.475248 | 0.738095 |
91 | G5A | 0.474227 | 0.684783 |
92 | A3T | 0.473684 | 0.8 |
93 | B4P | 0.473118 | 0.690476 |
94 | AP5 | 0.473118 | 0.690476 |
95 | A3N | 0.472527 | 0.766234 |
96 | KB1 | 0.471698 | 0.833333 |
97 | LEU LMS | 0.471154 | 0.752809 |
98 | PRX | 0.46875 | 0.73494 |
99 | APC | 0.46875 | 0.705882 |
100 | AT4 | 0.468085 | 0.686047 |
101 | 4AD | 0.466019 | 0.759036 |
102 | PAJ | 0.466019 | 0.712644 |
103 | NWQ | 0.465909 | 0.767123 |
104 | V2G | 0.464646 | 0.701149 |
105 | ATP MG | 0.463918 | 0.728395 |
106 | ADP PO3 | 0.463918 | 0.728395 |
107 | ADV | 0.463918 | 0.72619 |
108 | RBY | 0.463918 | 0.72619 |
109 | ADX | 0.463158 | 0.666667 |
110 | MHZ | 0.463158 | 0.82716 |
111 | AU1 | 0.463158 | 0.674419 |
112 | NB8 | 0.462264 | 0.72093 |
113 | TXA | 0.462264 | 0.72619 |
114 | A3G | 0.461538 | 0.802632 |
115 | ANP MG | 0.46 | 0.702381 |
116 | VO4 ADP | 0.46 | 0.694118 |
117 | BEF ADP | 0.459184 | 0.710843 |
118 | VRT | 0.459184 | 0.842105 |
119 | XAH | 0.458716 | 0.715909 |
120 | KYE | 0.458716 | 0.802469 |
121 | YSA | 0.458716 | 0.684783 |
122 | 50T | 0.458333 | 0.682353 |
123 | ATP | 0.458333 | 0.690476 |
124 | H1Q | 0.458333 | 0.719512 |
125 | HEJ | 0.458333 | 0.690476 |
126 | 7D7 | 0.45679 | 0.723684 |
127 | V47 | 0.455446 | 0.810811 |
128 | KH3 | 0.455357 | 0.871795 |
129 | ACQ | 0.454545 | 0.694118 |
130 | AR6 | 0.453608 | 0.710843 |
131 | APR | 0.453608 | 0.710843 |
132 | 5FA | 0.453608 | 0.690476 |
133 | AQP | 0.453608 | 0.690476 |
134 | NSS | 0.451923 | 0.703297 |
135 | FA5 | 0.449541 | 0.746988 |
136 | AGS | 0.44898 | 0.678161 |
137 | A5D | 0.44898 | 0.789474 |
138 | AD9 | 0.44898 | 0.674419 |
139 | PTJ | 0.448598 | 0.72093 |
140 | YLB | 0.448276 | 0.758621 |
141 | YLP | 0.447368 | 0.738636 |
142 | OZP | 0.447368 | 0.844156 |
143 | 8X1 | 0.446602 | 0.680851 |
144 | D3Y | 0.446602 | 0.792208 |
145 | N5O | 0.445652 | 0.789474 |
146 | ALF ADP | 0.445545 | 0.678161 |
147 | 3AM | 0.444444 | 0.674699 |
148 | MYR AMP | 0.444444 | 0.776471 |
149 | HY8 | 0.443478 | 0.822785 |
150 | OAD | 0.443396 | 0.73494 |
151 | 2VA | 0.443299 | 0.779221 |
152 | KXW | 0.442478 | 0.844156 |
153 | QXP | 0.442308 | 0.67033 |
154 | S8M | 0.442308 | 0.831169 |
155 | OOB | 0.442308 | 0.722892 |
156 | 6YZ | 0.441176 | 0.694118 |
157 | T99 | 0.44 | 0.686047 |
158 | ANP | 0.44 | 0.674419 |
159 | TAT | 0.44 | 0.686047 |
160 | N37 | 0.439655 | 0.828947 |
161 | WAQ | 0.439252 | 0.75 |
162 | HZ2 | 0.438596 | 0.822785 |
163 | 8PZ | 0.436364 | 0.684783 |
164 | B5Y | 0.436364 | 0.717647 |
165 | N5A | 0.43617 | 0.786667 |
166 | F0P | 0.435897 | 0.844156 |
167 | YLC | 0.435897 | 0.755814 |
168 | AAT | 0.435644 | 0.797468 |
169 | 1ZZ | 0.435185 | 0.755814 |
170 | 3OD | 0.435185 | 0.73494 |
171 | 9K8 | 0.435185 | 0.663158 |
172 | NVA 2AD | 0.434343 | 0.855263 |
173 | 00A | 0.433962 | 0.689655 |
174 | DLL | 0.433962 | 0.722892 |
175 | 7MD | 0.433628 | 0.715909 |
176 | ARG AMP | 0.433628 | 0.727273 |
177 | ATF | 0.431373 | 0.666667 |
178 | SO8 | 0.43 | 0.792208 |
179 | A6D | 0.429907 | 0.72619 |
180 | QXG | 0.429907 | 0.663043 |
181 | 9X8 | 0.429907 | 0.717647 |
182 | 3UK | 0.429907 | 0.714286 |
183 | F2R | 0.429752 | 0.7 |
184 | OZV | 0.428571 | 0.690476 |
185 | AMP DBH | 0.428571 | 0.714286 |
186 | 5SV | 0.428571 | 0.741176 |
187 | TYM | 0.42735 | 0.746988 |
188 | WSA | 0.42735 | 0.692308 |
189 | 9SN | 0.427273 | 0.681818 |
190 | AHZ | 0.426087 | 0.755814 |
191 | PR8 | 0.425926 | 0.744186 |
192 | B5V | 0.425926 | 0.705882 |
193 | J4G | 0.425926 | 0.759036 |
194 | 3NZ | 0.425926 | 0.807692 |
195 | P5A | 0.425926 | 0.691489 |
196 | R2V | 0.425926 | 0.67033 |
197 | A1R | 0.424528 | 0.709302 |
198 | 2A5 | 0.424242 | 0.674419 |
199 | Q34 | 0.423729 | 0.802469 |
200 | 7MC | 0.423729 | 0.719101 |
201 | Q2M | 0.423729 | 0.846154 |
202 | B5M | 0.423423 | 0.717647 |
203 | HQG | 0.423077 | 0.702381 |
204 | U4Y | 0.422414 | 0.88 |
205 | 7D5 | 0.422222 | 0.658824 |
206 | JB6 | 0.422018 | 0.709302 |
207 | FYA | 0.422018 | 0.722892 |
208 | AYB | 0.421488 | 0.75 |
209 | JNT | 0.420561 | 0.694118 |
210 | K2H | 0.420561 | 0.805195 |
211 | B1U | 0.419643 | 0.632653 |
212 | MAP | 0.419048 | 0.659091 |
213 | KY2 | 0.419048 | 0.777778 |
214 | A22 | 0.419048 | 0.682353 |
215 | 2AM | 0.417582 | 0.666667 |
216 | TAD | 0.417391 | 0.712644 |
217 | ADP BMA | 0.416667 | 0.714286 |
218 | A3P | 0.416667 | 0.686747 |
219 | 25A | 0.415094 | 0.690476 |
220 | Q2V | 0.413223 | 0.833333 |
221 | YLA | 0.413223 | 0.719101 |
222 | K2K | 0.412844 | 0.807692 |
223 | 8Q2 | 0.411765 | 0.663158 |
224 | KYB | 0.411215 | 0.777778 |
225 | A3R | 0.411215 | 0.709302 |
226 | ADQ | 0.411215 | 0.694118 |
227 | KMQ | 0.410714 | 0.72619 |
228 | 48N | 0.410256 | 0.72093 |
229 | 0XU | 0.41 | 0.824324 |
230 | GA7 | 0.408696 | 0.72619 |
231 | K3H | 0.40708 | 0.775 |
232 | 7D3 | 0.40625 | 0.643678 |
233 | PAP | 0.405941 | 0.678571 |
234 | DQV | 0.405172 | 0.702381 |
235 | OVE | 0.404255 | 0.662791 |
236 | 4UV | 0.403509 | 0.697674 |
237 | ALF ADP 3PG | 0.403361 | 0.712644 |
238 | AF3 ADP 3PG | 0.403361 | 0.712644 |
239 | Q2P | 0.403226 | 0.802469 |
240 | 3AD | 0.402299 | 0.783784 |
241 | 2BA | 0.402062 | 0.682927 |
242 | CMP | 0.402062 | 0.691358 |
243 | K38 | 0.401786 | 0.7375 |
244 | NAD TDB | 0.4 | 0.731707 |
245 | 7C5 | 0.4 | 0.731707 |
246 | NAD IBO | 0.4 | 0.731707 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | 2PN | 0.9982 |
2 | PPV | 0.9931 |
3 | POP | 0.9931 |
4 | PIS | 0.9892 |
5 | LLQ | 0.9562 |
6 | S0H | 0.9443 |
7 | TB6 | 0.9414 |
8 | OPE | 0.9330 |
9 | 7VD | 0.9312 |
10 | 1GP | 0.9293 |
11 | MPD | 0.9254 |
12 | PPR | 0.9250 |
13 | 3SL | 0.9246 |
14 | PCT | 0.9243 |
15 | PAE | 0.9239 |
16 | PEP | 0.9229 |
17 | PGA | 0.9223 |
18 | G3P | 0.9204 |
19 | G3H | 0.9204 |
20 | FCN | 0.9193 |
21 | PEQ | 0.9170 |
22 | 0V5 | 0.9170 |
23 | CP | 0.9164 |
24 | A20 | 0.9149 |
25 | HX2 | 0.9149 |
26 | G2H | 0.9144 |
27 | SAT | 0.9140 |
28 | ACH | 0.9125 |
29 | GZ3 | 0.9094 |
30 | PSE | 0.9076 |
31 | GG6 | 0.9073 |
32 | 13P | 0.9057 |
33 | PAH | 0.9031 |
34 | 1SA | 0.8970 |
35 | 911 | 0.8961 |
36 | 2RH | 0.8956 |
37 | 3Q7 | 0.8955 |
38 | SEP | 0.8943 |
39 | KVV | 0.8936 |
40 | 2PG | 0.8933 |
41 | DS0 | 0.8922 |
42 | 1SH | 0.8912 |
43 | TAU | 0.8899 |
44 | 3PP | 0.8887 |
45 | SIN | 0.8885 |
46 | GP9 | 0.8884 |
47 | MAE | 0.8877 |
48 | X1S | 0.8865 |
49 | 4MV | 0.8854 |
50 | P7I | 0.8847 |
51 | LMR | 0.8839 |
52 | COM | 0.8834 |
53 | KVP | 0.8820 |
54 | CYX | 0.8813 |
55 | 9X6 | 0.8811 |
56 | AT3 | 0.8798 |
57 | LEU | 0.8792 |
58 | H95 | 0.8789 |
59 | XPO | 0.8787 |
60 | ICF | 0.8787 |
61 | 3PG | 0.8787 |
62 | CMS | 0.8784 |
63 | COI | 0.8782 |
64 | PC | 0.8776 |
65 | CHT | 0.8772 |
66 | SPV | 0.8770 |
67 | IVA | 0.8763 |
68 | MLT | 0.8761 |
69 | IPU | 0.8756 |
70 | ASP | 0.8753 |
71 | 1DQ | 0.8748 |
72 | TEO | 0.8746 |
73 | SHF | 0.8740 |
74 | FUM | 0.8738 |
75 | SRT | 0.8736 |
76 | MLA | 0.8736 |
77 | JYD | 0.8729 |
78 | UY7 | 0.8715 |
79 | R67 | 0.8711 |
80 | MLI | 0.8705 |
81 | GLU | 0.8703 |
82 | 8X3 | 0.8697 |
83 | VX | 0.8697 |
84 | HYP | 0.8689 |
85 | DCL | 0.8688 |
86 | ODV | 0.8678 |
87 | ETM | 0.8668 |
88 | EFS | 0.8654 |
89 | PGH | 0.8653 |
90 | ASN | 0.8627 |
91 | FB2 | 0.8612 |
92 | PMB | 0.8598 |
93 | 1DV | 0.8597 |
94 | HIO | 0.8590 |
95 | FJO | 0.8584 |
96 | MLM | 0.8572 |
97 | KPL | 0.8559 |
98 | ILE | 0.8553 |
99 | ABU | 0.8548 |
100 | FLA | 0.8542 |
101 | PAF | 0.8525 |
102 | OAA | 0.8521 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | ADP ALF | 0.9672 |
2 | ALF GDP | 0.9574 |
3 | GDP ALF | 0.9543 |
4 | GDP BEF | 0.9527 |
5 | ADP AF3 | 0.9456 |
6 | GDP AF3 | 0.9455 |
7 | BEF GDP | 0.9450 |
8 | DBG | 0.9389 |
9 | UTP | 0.9261 |
10 | GDP MG | 0.9218 |
11 | MGT | 0.9160 |
12 | DGT | 0.9114 |
13 | MGP | 0.9094 |
14 | MGO | 0.9077 |
15 | TTP | 0.9066 |
16 | CTP | 0.9009 |
17 | Y9Z | 0.9008 |
18 | ADP VO4 | 0.8876 |
19 | DCP | 0.8847 |
20 | GAV | 0.8811 |
21 | UNP | 0.8752 |
22 | 2KH | 0.8740 |
23 | GH3 | 0.8712 |
24 | DGI | 0.8664 |
25 | MOD | 0.8652 |
26 | IDP | 0.8650 |
27 | DUT | 0.8592 |
28 | M7G | 0.8562 |
29 | DUP | 0.8558 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | TT8 | 0.9650 |
2 | GDP | 0.9145 |
3 | 8OD | 0.9006 |
4 | NWZ | 0.8954 |
5 | IDP | 0.8910 |
6 | CUU | 0.8833 |
7 | GNH | 0.8826 |
8 | KB7 | 0.8802 |
9 | DTP | 0.8779 |
10 | GDP MG | 0.8767 |
11 | M7G | 0.8755 |
12 | G8D | 0.8722 |
13 | DZ4 | 0.8710 |
14 | GTP | 0.8703 |
15 | DAT | 0.8676 |
16 | DGT | 0.8665 |
17 | GNP | 0.8658 |
18 | AV2 | 0.8650 |
19 | HF7 | 0.8632 |
20 | DGI | 0.8627 |
21 | HDV | 0.8586 |
22 | GCP | 0.8586 |
23 | TTP | 0.8585 |
24 | FZT | 0.8567 |
25 | GSP | 0.8566 |
26 | CTP | 0.8538 |
This union binding pocket(no: 1) in the query (biounit: 6s83.bio2) has 13 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 6s83.bio2) has 12 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 3) in the query (biounit: 6s83.bio4) has 14 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 4) in the query (biounit: 6s83.bio4) has 12 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 5) in the query (biounit: 6s83.bio1) has 13 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 6) in the query (biounit: 6s83.bio1) has 14 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 7) in the query (biounit: 6s83.bio1) has 18 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 8) in the query (biounit: 6s83.bio3) has 19 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 9) in the query (biounit: 6s83.bio3) has 14 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 10) in the query (biounit: 6s83.bio3) has 14 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |