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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 3 families. | |||||
1 | 1B7Y | - | FYA | C19 H25 N6 O7 P | c1ccc(cc1).... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 3 families. | |||||
1 | 1B7Y | - | FYA | C19 H25 N6 O7 P | c1ccc(cc1).... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | FYA | 1 | 1 |
2 | FA5 | 0.72449 | 0.945946 |
3 | DLL | 0.680412 | 0.918919 |
4 | A2D | 0.666667 | 0.931507 |
5 | AN2 | 0.655556 | 0.893333 |
6 | PRX | 0.652174 | 0.906667 |
7 | BA3 | 0.651685 | 0.931507 |
8 | AP5 | 0.644444 | 0.931507 |
9 | B4P | 0.644444 | 0.931507 |
10 | ADP | 0.644444 | 0.905405 |
11 | OOB | 0.642857 | 0.918919 |
12 | AT4 | 0.637363 | 0.87013 |
13 | AR6 | 0.634409 | 0.905405 |
14 | APR | 0.634409 | 0.905405 |
15 | A | 0.632184 | 0.930556 |
16 | AMP | 0.632184 | 0.930556 |
17 | M33 | 0.630435 | 0.893333 |
18 | ADX | 0.630435 | 0.817073 |
19 | CA0 | 0.630435 | 0.881579 |
20 | 5AL | 0.625 | 0.893333 |
21 | KG4 | 0.623656 | 0.881579 |
22 | HEJ | 0.623656 | 0.905405 |
23 | 50T | 0.623656 | 0.893333 |
24 | ATP | 0.623656 | 0.905405 |
25 | ACP | 0.623656 | 0.906667 |
26 | 5FA | 0.617021 | 0.905405 |
27 | AQP | 0.617021 | 0.905405 |
28 | 8LQ | 0.616162 | 0.894737 |
29 | 8LH | 0.612245 | 0.87013 |
30 | SRP | 0.612245 | 0.92 |
31 | 45A | 0.611111 | 0.905405 |
32 | ABM | 0.611111 | 0.905405 |
33 | AD9 | 0.610526 | 0.881579 |
34 | AGS | 0.610526 | 0.858974 |
35 | 8LE | 0.608247 | 0.858974 |
36 | AMP MG | 0.606742 | 0.916667 |
37 | QA7 | 0.6 | 0.858974 |
38 | AHX | 0.598039 | 0.884615 |
39 | JNT | 0.598039 | 0.932432 |
40 | ANP | 0.597938 | 0.881579 |
41 | ACQ | 0.597938 | 0.906667 |
42 | A12 | 0.597826 | 0.894737 |
43 | AP2 | 0.597826 | 0.894737 |
44 | OZV | 0.594059 | 0.905405 |
45 | 5SV | 0.594059 | 0.860759 |
46 | 8QN | 0.594059 | 0.893333 |
47 | 3UK | 0.592233 | 0.906667 |
48 | SRA | 0.588889 | 0.881579 |
49 | AMO | 0.588235 | 0.92 |
50 | LAD | 0.586538 | 0.873418 |
51 | B5V | 0.586538 | 0.894737 |
52 | ATF | 0.585859 | 0.87013 |
53 | A22 | 0.584158 | 0.918919 |
54 | 6YZ | 0.58 | 0.906667 |
55 | AU1 | 0.578947 | 0.881579 |
56 | 25A | 0.578431 | 0.931507 |
57 | ADV | 0.57732 | 0.894737 |
58 | RBY | 0.57732 | 0.894737 |
59 | OAD | 0.576923 | 0.881579 |
60 | HQG | 0.574257 | 0.893333 |
61 | A1R | 0.572816 | 0.921053 |
62 | PAJ | 0.572816 | 0.82716 |
63 | 4AD | 0.572816 | 0.907895 |
64 | WAQ | 0.571429 | 0.896104 |
65 | 9SN | 0.570093 | 0.860759 |
66 | ADP MG | 0.568421 | 0.90411 |
67 | ADP BEF | 0.568421 | 0.90411 |
68 | 00A | 0.567308 | 0.871795 |
69 | APC | 0.56701 | 0.894737 |
70 | 1ZZ | 0.566038 | 0.829268 |
71 | ME8 | 0.566038 | 0.851852 |
72 | NB8 | 0.566038 | 0.884615 |
73 | TAT | 0.565657 | 0.87013 |
74 | T99 | 0.565657 | 0.87013 |
75 | B5M | 0.564815 | 0.883117 |
76 | 9X8 | 0.561905 | 0.858974 |
77 | TYM | 0.561404 | 0.945946 |
78 | XAH | 0.559633 | 0.851852 |
79 | A3R | 0.557692 | 0.921053 |
80 | ADQ | 0.557692 | 0.906667 |
81 | PTJ | 0.551402 | 0.8375 |
82 | TXA | 0.551402 | 0.87013 |
83 | 3OD | 0.551402 | 0.881579 |
84 | B5Y | 0.550459 | 0.883117 |
85 | 9ZD | 0.548077 | 0.848101 |
86 | 9ZA | 0.548077 | 0.848101 |
87 | 25L | 0.546296 | 0.918919 |
88 | ADP PO3 | 0.545455 | 0.90411 |
89 | APC MG | 0.545455 | 0.88 |
90 | ATP MG | 0.545455 | 0.90411 |
91 | V2G | 0.544554 | 0.884615 |
92 | YLP | 0.54386 | 0.853659 |
93 | PR8 | 0.542056 | 0.886076 |
94 | BEF ADP | 0.54 | 0.88 |
95 | ANP MG | 0.539216 | 0.893333 |
96 | DND | 0.53913 | 0.894737 |
97 | BIS | 0.537037 | 0.848101 |
98 | KMQ | 0.536364 | 0.87013 |
99 | SON | 0.536082 | 0.894737 |
100 | GAP | 0.534653 | 0.857143 |
101 | AFH | 0.530973 | 0.873418 |
102 | GA7 | 0.530973 | 0.92 |
103 | 48N | 0.530435 | 0.860759 |
104 | YLC | 0.529915 | 0.851852 |
105 | YLB | 0.529915 | 0.853659 |
106 | LMS | 0.526882 | 0.795181 |
107 | 4UV | 0.526786 | 0.883117 |
108 | AMP DBH | 0.526786 | 0.881579 |
109 | DQV | 0.526316 | 0.918919 |
110 | NAI | 0.525862 | 0.871795 |
111 | VO4 ADP | 0.524272 | 0.881579 |
112 | ALF ADP | 0.524272 | 0.835443 |
113 | DAL AMP | 0.52381 | 0.868421 |
114 | MAP | 0.52381 | 0.858974 |
115 | JB6 | 0.522936 | 0.921053 |
116 | LAQ | 0.521739 | 0.829268 |
117 | IOT | 0.521008 | 0.843373 |
118 | 4UU | 0.517544 | 0.883117 |
119 | YLA | 0.516667 | 0.853659 |
120 | AOC | 0.515789 | 0.810811 |
121 | A5D | 0.514852 | 0.8 |
122 | GTA | 0.513043 | 0.829268 |
123 | 6V0 | 0.512821 | 0.860759 |
124 | AYB | 0.512397 | 0.843373 |
125 | ATP A A A | 0.508929 | 0.917808 |
126 | ATP A | 0.508929 | 0.917808 |
127 | G3A | 0.508772 | 0.860759 |
128 | TXE | 0.508475 | 0.896104 |
129 | YSA | 0.504425 | 0.811765 |
130 | G5P | 0.504348 | 0.860759 |
131 | 7MD | 0.504348 | 0.875 |
132 | COD | 0.504065 | 0.823529 |
133 | TXD | 0.5 | 0.896104 |
134 | PAP | 0.5 | 0.891892 |
135 | NAX | 0.5 | 0.886076 |
136 | CNA | 0.5 | 0.92 |
137 | A3P | 0.5 | 0.90411 |
138 | F2R | 0.495935 | 0.831325 |
139 | OMR | 0.495798 | 0.819277 |
140 | 8PZ | 0.495575 | 0.811765 |
141 | TSB | 0.495327 | 0.767442 |
142 | A5A | 0.495238 | 0.776471 |
143 | 5AS | 0.494949 | 0.770115 |
144 | RAB | 0.494253 | 0.808219 |
145 | XYA | 0.494253 | 0.808219 |
146 | ADN | 0.494253 | 0.808219 |
147 | NAD | 0.491935 | 0.918919 |
148 | 139 | 0.491803 | 0.886076 |
149 | T5A | 0.491803 | 0.876543 |
150 | AP0 | 0.491667 | 0.860759 |
151 | UPA | 0.491667 | 0.871795 |
152 | ADP BMA | 0.490909 | 0.881579 |
153 | SSA | 0.490566 | 0.790698 |
154 | 2A5 | 0.490196 | 0.881579 |
155 | 4UW | 0.487395 | 0.85 |
156 | UP5 | 0.487395 | 0.883117 |
157 | VMS | 0.485981 | 0.758621 |
158 | 54H | 0.485981 | 0.758621 |
159 | A2R | 0.485981 | 0.893333 |
160 | PPS | 0.485714 | 0.795181 |
161 | ATR | 0.485437 | 0.878378 |
162 | ZID | 0.484615 | 0.906667 |
163 | YLY | 0.484375 | 0.843373 |
164 | 3AM | 0.484211 | 0.890411 |
165 | A3D | 0.484127 | 0.906667 |
166 | 80F | 0.484127 | 0.853659 |
167 | 5N5 | 0.483146 | 0.783784 |
168 | 53H | 0.481481 | 0.75 |
169 | 5CA | 0.481481 | 0.790698 |
170 | D4F | 0.48062 | 0.851852 |
171 | NAE | 0.48062 | 0.883117 |
172 | BTX | 0.48 | 0.853659 |
173 | ADJ | 0.479675 | 0.864198 |
174 | L3W | 0.479339 | 0.87013 |
175 | 7MC | 0.479339 | 0.853659 |
176 | 4TC | 0.479339 | 0.884615 |
177 | 7D5 | 0.478723 | 0.842105 |
178 | AR6 AR6 | 0.478632 | 0.905405 |
179 | ARG AMP | 0.478632 | 0.819277 |
180 | MYR AMP | 0.477876 | 0.807229 |
181 | 5CD | 0.477778 | 0.794521 |
182 | A4D | 0.477778 | 0.783784 |
183 | NAQ | 0.476923 | 0.860759 |
184 | BT5 | 0.47619 | 0.843373 |
185 | A4P | 0.47541 | 0.811765 |
186 | 7D3 | 0.474747 | 0.820513 |
187 | N0B | 0.473282 | 0.876543 |
188 | M24 | 0.472868 | 0.839506 |
189 | DSZ | 0.472727 | 0.790698 |
190 | LSS | 0.472727 | 0.772727 |
191 | 52H | 0.472222 | 0.75 |
192 | WSA | 0.471074 | 0.821429 |
193 | 7D4 | 0.470588 | 0.820513 |
194 | A2P | 0.47 | 0.890411 |
195 | NAD IBO | 0.467213 | 0.905405 |
196 | NAD TDB | 0.467213 | 0.905405 |
197 | KOY | 0.466667 | 0.792208 |
198 | G5A | 0.466667 | 0.790698 |
199 | H1Q | 0.466019 | 0.891892 |
200 | DZD | 0.464567 | 0.897436 |
201 | EP4 | 0.462366 | 0.74359 |
202 | V3L | 0.462264 | 0.905405 |
203 | TAD | 0.462185 | 0.85 |
204 | J4G | 0.460177 | 0.907895 |
205 | GSU | 0.460177 | 0.790698 |
206 | KAA | 0.460177 | 0.764045 |
207 | NSS | 0.459459 | 0.790698 |
208 | 6RE | 0.459184 | 0.772152 |
209 | AF3 ADP 3PG | 0.459016 | 0.82716 |
210 | ALF ADP 3PG | 0.459016 | 0.82716 |
211 | 3DH | 0.458333 | 0.763158 |
212 | M2T | 0.457447 | 0.725 |
213 | DTA | 0.457447 | 0.8 |
214 | ITT | 0.456311 | 0.853333 |
215 | NVA LMS | 0.455357 | 0.764045 |
216 | B1U | 0.452991 | 0.728261 |
217 | MTA | 0.452632 | 0.763158 |
218 | NDE | 0.452555 | 0.894737 |
219 | 5X8 | 0.451923 | 0.8 |
220 | SFG | 0.451923 | 0.786667 |
221 | LEU LMS | 0.451327 | 0.761364 |
222 | J7C | 0.45 | 0.782051 |
223 | F2N | 0.447368 | 0.825581 |
224 | AHZ | 0.446281 | 0.785714 |
225 | NDC | 0.446043 | 0.884615 |
226 | 6MZ | 0.445545 | 0.891892 |
227 | 0WD | 0.445312 | 0.860759 |
228 | AMP NAD | 0.445312 | 0.893333 |
229 | OVE | 0.444444 | 0.844156 |
230 | 9K8 | 0.443478 | 0.706522 |
231 | 2AM | 0.443299 | 0.878378 |
232 | LPA AMP | 0.442623 | 0.807229 |
233 | 8X1 | 0.441441 | 0.764045 |
234 | D3Y | 0.441441 | 0.826667 |
235 | HFD | 0.439252 | 0.858974 |
236 | JSQ | 0.439252 | 0.858974 |
237 | FAJ | 0.43871 | 0.865854 |
238 | NA7 | 0.438596 | 0.92 |
239 | SMM | 0.436364 | 0.717647 |
240 | FB0 | 0.435714 | 0.795455 |
241 | IMO | 0.435644 | 0.864865 |
242 | A3N | 0.435644 | 0.753247 |
243 | 649 | 0.435484 | 0.795455 |
244 | 6IA | 0.435185 | 0.85 |
245 | NAJ PZO | 0.435115 | 0.8375 |
246 | 3NZ | 0.434783 | 0.818182 |
247 | P5A | 0.434783 | 0.775281 |
248 | ZAS | 0.434343 | 0.779221 |
249 | 4TA | 0.434109 | 0.864198 |
250 | EAD | 0.433824 | 0.8625 |
251 | A3S | 0.432692 | 0.824324 |
252 | NO7 | 0.432432 | 0.846154 |
253 | K3K | 0.432203 | 0.792208 |
254 | ETB | 0.431818 | 0.802326 |
255 | DCA | 0.431818 | 0.813953 |
256 | S4M | 0.431373 | 0.717647 |
257 | GJV | 0.431373 | 0.7625 |
258 | 6AD | 0.431193 | 0.82716 |
259 | FAQ | 0.430556 | 0.816092 |
260 | SA8 | 0.429907 | 0.740741 |
261 | ARU | 0.429825 | 0.783133 |
262 | 38V | 0.42963 | 0.851852 |
263 | FDA | 0.429577 | 0.823529 |
264 | MHZ | 0.428571 | 0.75 |
265 | 2SA | 0.427273 | 0.894737 |
266 | MAO | 0.427184 | 0.792683 |
267 | 6FA | 0.426573 | 0.853659 |
268 | NJP | 0.426357 | 0.883117 |
269 | 4YB | 0.42623 | 0.793103 |
270 | SAH | 0.425926 | 0.779221 |
271 | 6C6 | 0.425926 | 0.92 |
272 | SAI | 0.425926 | 0.769231 |
273 | O02 | 0.425926 | 0.860759 |
274 | FA9 | 0.425806 | 0.876543 |
275 | DSH | 0.425743 | 0.782051 |
276 | K3E | 0.425 | 0.782051 |
277 | QXP | 0.424779 | 0.735632 |
278 | 6K6 | 0.424779 | 0.891892 |
279 | A3T | 0.424528 | 0.786667 |
280 | DAT | 0.424528 | 0.893333 |
281 | S7M | 0.423423 | 0.722892 |
282 | DTP | 0.422018 | 0.893333 |
283 | SAM | 0.422018 | 0.722892 |
284 | Q2V | 0.421875 | 0.775 |
285 | NDP | 0.421875 | 0.860759 |
286 | P1H | 0.421429 | 0.841463 |
287 | SFD | 0.42069 | 0.744681 |
288 | FAS | 0.42069 | 0.864198 |
289 | FAD | 0.42069 | 0.864198 |
290 | ACO | 0.42029 | 0.786517 |
291 | A7D | 0.419048 | 0.789474 |
292 | 62F | 0.418919 | 0.875 |
293 | FNK | 0.418919 | 0.816092 |
294 | EEM | 0.418182 | 0.722892 |
295 | N6P | 0.417391 | 0.902778 |
296 | LQJ | 0.416667 | 0.905405 |
297 | COS | 0.416058 | 0.795455 |
298 | CAO | 0.416058 | 0.786517 |
299 | KY5 | 0.415254 | 0.805195 |
300 | NWW | 0.414894 | 0.726027 |
301 | COA | 0.414815 | 0.813953 |
302 | 0T1 | 0.414815 | 0.813953 |
303 | KXW | 0.414634 | 0.78481 |
304 | AV2 | 0.414414 | 0.831169 |
305 | A6D | 0.413793 | 0.73494 |
306 | BYC | 0.413793 | 0.816092 |
307 | PO4 PO4 A A A A PO4 | 0.413793 | 0.890411 |
308 | QXG | 0.413793 | 0.727273 |
309 | V1N | 0.413223 | 0.931507 |
310 | AVV | 0.412281 | 0.884615 |
311 | 9JJ | 0.411765 | 0.829268 |
312 | D5M | 0.411765 | 0.917808 |
313 | A3G | 0.411765 | 0.813333 |
314 | DA | 0.411765 | 0.917808 |
315 | NEC | 0.411765 | 0.714286 |
316 | CUU | 0.411215 | 0.905405 |
317 | V47 | 0.410714 | 0.773333 |
318 | 8Q2 | 0.409449 | 0.784091 |
319 | 3AT | 0.409091 | 0.905405 |
320 | 0UM | 0.408696 | 0.753086 |
321 | CO6 | 0.408451 | 0.795455 |
322 | OZP | 0.408 | 0.78481 |
323 | K2R | 0.40678 | 0.868421 |
324 | FAY | 0.406667 | 0.875 |
325 | 5AD | 0.406593 | 0.736111 |
326 | AMX | 0.405797 | 0.823529 |
327 | 30N | 0.405797 | 0.744681 |
328 | Z5A | 0.405797 | 0.811765 |
329 | TAP | 0.405797 | 0.871795 |
330 | 2MC | 0.405594 | 0.76087 |
331 | NAD BBN | 0.405405 | 0.809524 |
332 | AAT | 0.405405 | 0.7625 |
333 | BV8 | 0.404624 | 0.788889 |
334 | ODP | 0.40458 | 0.85 |
335 | FYN | 0.404255 | 0.813953 |
336 | Y3J | 0.404255 | 0.716216 |
337 | 3KK | 0.404255 | 0.795455 |
338 | COW | 0.40411 | 0.806818 |
339 | CA8 | 0.40411 | 0.739583 |
340 | RFL | 0.403974 | 0.833333 |
341 | GGZ | 0.403509 | 0.771084 |
342 | KB1 | 0.403361 | 0.753086 |
343 | 7L1 | 0.402878 | 0.786517 |
344 | CMX | 0.402878 | 0.813953 |
345 | SCO | 0.402878 | 0.813953 |
346 | 3HC | 0.402778 | 0.804598 |
347 | 7D7 | 0.402174 | 0.733333 |
348 | 101 | 0.401961 | 0.891892 |
349 | PGS | 0.401869 | 0.802469 |
350 | NAJ PYZ | 0.40146 | 0.797619 |
351 | OXK | 0.401408 | 0.795455 |
352 | SOP | 0.401408 | 0.795455 |
353 | COK | 0.401408 | 0.795455 |
354 | KGP | 0.401408 | 0.721649 |
355 | YZS | 0.401408 | 0.721649 |
356 | 4CA | 0.401361 | 0.806818 |
357 | SO5 | 0.4 | 0.714286 |
358 | 0FQ | 0.4 | 0.816092 |
359 | NPW | 0.4 | 0.875 |
360 | FCX | 0.4 | 0.786517 |
361 | FAM | 0.4 | 0.795455 |
362 | 71V | 0.4 | 0.848101 |
363 | BVT | 0.4 | 0.78022 |
364 | NAD CJ3 | 0.4 | 0.781609 |
365 | GEK | 0.4 | 0.75 |
366 | LCV | 0.4 | 0.714286 |
367 | S8M | 0.4 | 0.794872 |
No: | Ligand | Similarity coefficient |
---|
This union binding pocket(no: 1) in the query (biounit: 1b7y.bio1) has 27 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 1b7y.bio1) has 27 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |