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No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 1331 families. | |||||
1 | 4R0M | - | FA5 | C19 H23 N6 O8 P | c1ccc(cc1).... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 1144 families. | |||||
1 | 4R0M | - | FA5 | C19 H23 N6 O8 P | c1ccc(cc1).... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | FA5 | 1 | 1 |
2 | SRP | 0.769231 | 0.972973 |
3 | AMO | 0.736842 | 0.972973 |
4 | DLL | 0.729167 | 0.972603 |
5 | 5AL | 0.728261 | 0.945946 |
6 | FYA | 0.72449 | 0.945946 |
7 | TYM | 0.72381 | 1 |
8 | LAD | 0.714286 | 0.923077 |
9 | 8LH | 0.712766 | 0.921053 |
10 | ME8 | 0.707071 | 0.9 |
11 | NB8 | 0.707071 | 0.935065 |
12 | 8QN | 0.690722 | 0.945946 |
13 | OOB | 0.690722 | 0.972603 |
14 | CA0 | 0.681319 | 0.933333 |
15 | KG4 | 0.673913 | 0.933333 |
16 | 8LE | 0.673684 | 0.909091 |
17 | 4AD | 0.666667 | 0.96 |
18 | PAJ | 0.666667 | 0.875 |
19 | 8LQ | 0.663265 | 0.946667 |
20 | QA7 | 0.646465 | 0.909091 |
21 | A2D | 0.644444 | 0.932432 |
22 | YLP | 0.642202 | 0.878049 |
23 | PTJ | 0.640777 | 0.886076 |
24 | 3UK | 0.637255 | 0.959459 |
25 | AT4 | 0.634409 | 0.871795 |
26 | AN2 | 0.634409 | 0.894737 |
27 | B5V | 0.631068 | 0.946667 |
28 | BA3 | 0.630435 | 0.932432 |
29 | YLB | 0.625 | 0.878049 |
30 | YLC | 0.625 | 0.9 |
31 | B4P | 0.623656 | 0.932432 |
32 | ADP | 0.623656 | 0.906667 |
33 | AP5 | 0.623656 | 0.932432 |
34 | WAQ | 0.615385 | 0.922078 |
35 | AR6 | 0.614583 | 0.932432 |
36 | APR | 0.614583 | 0.932432 |
37 | 00A | 0.61165 | 0.922078 |
38 | AHX | 0.61165 | 0.910256 |
39 | A | 0.611111 | 0.905405 |
40 | AMP | 0.611111 | 0.905405 |
41 | M33 | 0.610526 | 0.894737 |
42 | ADX | 0.610526 | 0.819277 |
43 | YLA | 0.608696 | 0.878049 |
44 | AMP MG | 0.604396 | 0.891892 |
45 | ACP | 0.604167 | 0.907895 |
46 | ATP | 0.604167 | 0.906667 |
47 | HEJ | 0.604167 | 0.906667 |
48 | 50T | 0.604167 | 0.87013 |
49 | AYB | 0.603448 | 0.86747 |
50 | PR8 | 0.6 | 0.911392 |
51 | 9SN | 0.598131 | 0.910256 |
52 | AQP | 0.597938 | 0.906667 |
53 | PRX | 0.597938 | 0.858974 |
54 | 5FA | 0.597938 | 0.906667 |
55 | ANP | 0.59596 | 0.883117 |
56 | 1ZZ | 0.59434 | 0.853659 |
57 | TXA | 0.59434 | 0.921053 |
58 | B5M | 0.592593 | 0.934211 |
59 | AD9 | 0.591837 | 0.883117 |
60 | AGS | 0.591837 | 0.860759 |
61 | ABM | 0.591398 | 0.881579 |
62 | 45A | 0.591398 | 0.881579 |
63 | YLY | 0.581967 | 0.86747 |
64 | ACQ | 0.58 | 0.907895 |
65 | 3OD | 0.579439 | 0.933333 |
66 | A12 | 0.578947 | 0.896104 |
67 | AP2 | 0.578947 | 0.896104 |
68 | B5Y | 0.577982 | 0.934211 |
69 | AU1 | 0.57732 | 0.883117 |
70 | 9ZD | 0.576923 | 0.897436 |
71 | 9ZA | 0.576923 | 0.897436 |
72 | OZV | 0.576923 | 0.906667 |
73 | OAD | 0.575472 | 0.933333 |
74 | XAH | 0.572727 | 0.876543 |
75 | A1R | 0.571429 | 0.897436 |
76 | SRA | 0.569892 | 0.858974 |
77 | ATF | 0.568627 | 0.871795 |
78 | 4UV | 0.567568 | 0.934211 |
79 | DAL AMP | 0.567308 | 0.92 |
80 | GAP | 0.564356 | 0.907895 |
81 | 6YZ | 0.563107 | 0.907895 |
82 | LAQ | 0.561404 | 0.853659 |
83 | ADV | 0.56 | 0.921053 |
84 | RBY | 0.56 | 0.921053 |
85 | V2G | 0.558824 | 0.910256 |
86 | HQG | 0.557692 | 0.92 |
87 | N0B | 0.555556 | 0.901235 |
88 | A22 | 0.552381 | 0.92 |
89 | JNT | 0.551402 | 0.907895 |
90 | ADP MG | 0.55102 | 0.905405 |
91 | SON | 0.55102 | 0.946667 |
92 | ADP BEF | 0.55102 | 0.905405 |
93 | APC | 0.55 | 0.896104 |
94 | TAT | 0.54902 | 0.871795 |
95 | T99 | 0.54902 | 0.871795 |
96 | 25A | 0.54717 | 0.932432 |
97 | 5SV | 0.54717 | 0.817073 |
98 | 9X8 | 0.546296 | 0.884615 |
99 | 4UU | 0.54386 | 0.934211 |
100 | ADQ | 0.542056 | 0.933333 |
101 | A3R | 0.542056 | 0.897436 |
102 | BEF ADP | 0.539216 | 0.881579 |
103 | DQV | 0.53913 | 0.945946 |
104 | DND | 0.538462 | 0.946667 |
105 | NAX | 0.538462 | 0.911392 |
106 | IOT | 0.533333 | 0.86747 |
107 | M24 | 0.531746 | 0.8875 |
108 | YSA | 0.530973 | 0.835294 |
109 | ATP MG | 0.529412 | 0.905405 |
110 | ADP PO3 | 0.529412 | 0.905405 |
111 | APC MG | 0.529412 | 0.881579 |
112 | AMP DBH | 0.526316 | 0.883117 |
113 | 4UW | 0.525424 | 0.898734 |
114 | ANP MG | 0.52381 | 0.894737 |
115 | MAP | 0.523364 | 0.860759 |
116 | BIS | 0.522523 | 0.85 |
117 | TXE | 0.521008 | 0.897436 |
118 | 80F | 0.52 | 0.901235 |
119 | 25L | 0.517857 | 0.92 |
120 | 48N | 0.516949 | 0.910256 |
121 | A5D | 0.514563 | 0.779221 |
122 | NAI | 0.512605 | 0.897436 |
123 | TXD | 0.512605 | 0.897436 |
124 | LMS | 0.510417 | 0.797619 |
125 | ALF ADP | 0.509434 | 0.8375 |
126 | VO4 ADP | 0.509434 | 0.883117 |
127 | KMQ | 0.508772 | 0.896104 |
128 | 8PZ | 0.508772 | 0.835294 |
129 | G3A | 0.508621 | 0.886076 |
130 | F2R | 0.508065 | 0.878049 |
131 | SSA | 0.504673 | 0.813953 |
132 | MYR AMP | 0.504425 | 0.831325 |
133 | G5P | 0.504274 | 0.886076 |
134 | AFH | 0.504274 | 0.898734 |
135 | 7MD | 0.504274 | 0.9 |
136 | ARG AMP | 0.504274 | 0.865854 |
137 | GA7 | 0.504274 | 0.896104 |
138 | NAD | 0.504 | 0.945946 |
139 | BT5 | 0.5 | 0.86747 |
140 | PAP | 0.5 | 0.893333 |
141 | AOC | 0.5 | 0.789474 |
142 | CNA | 0.5 | 0.946667 |
143 | 6V0 | 0.5 | 0.886076 |
144 | A3D | 0.496063 | 0.933333 |
145 | OMR | 0.495868 | 0.843373 |
146 | TSB | 0.495413 | 0.790698 |
147 | 5CA | 0.495413 | 0.813953 |
148 | A5A | 0.495327 | 0.8 |
149 | D4F | 0.492308 | 0.9 |
150 | L3W | 0.491803 | 0.896104 |
151 | AP0 | 0.491803 | 0.8625 |
152 | GTA | 0.487395 | 0.853659 |
153 | LSS | 0.486486 | 0.795455 |
154 | DSZ | 0.486486 | 0.835294 |
155 | VMS | 0.486239 | 0.781609 |
156 | 54H | 0.486239 | 0.781609 |
157 | PPS | 0.485981 | 0.797619 |
158 | A3P | 0.485149 | 0.905405 |
159 | ZID | 0.484848 | 0.933333 |
160 | WSA | 0.483607 | 0.845238 |
161 | JB6 | 0.482456 | 0.897436 |
162 | 53H | 0.481818 | 0.772727 |
163 | G5A | 0.481132 | 0.813953 |
164 | 5X8 | 0.480769 | 0.826667 |
165 | 5AS | 0.480392 | 0.752809 |
166 | AMP NAD | 0.480315 | 0.945946 |
167 | COD | 0.480315 | 0.825581 |
168 | 139 | 0.48 | 0.8875 |
169 | ADJ | 0.48 | 0.865854 |
170 | T5A | 0.48 | 0.878049 |
171 | NAD IBO | 0.479675 | 0.932432 |
172 | NAD TDB | 0.479675 | 0.932432 |
173 | LPA AMP | 0.479339 | 0.831325 |
174 | 5CD | 0.478261 | 0.773333 |
175 | ADP BMA | 0.477876 | 0.907895 |
176 | LEU LMS | 0.477876 | 0.784091 |
177 | RAB | 0.477778 | 0.786667 |
178 | ADN | 0.477778 | 0.786667 |
179 | XYA | 0.477778 | 0.786667 |
180 | NAQ | 0.477273 | 0.886076 |
181 | DZD | 0.476562 | 0.898734 |
182 | 2A5 | 0.47619 | 0.858974 |
183 | UP5 | 0.47541 | 0.909091 |
184 | TAD | 0.475 | 0.875 |
185 | KAA | 0.473684 | 0.786517 |
186 | GSU | 0.473684 | 0.835294 |
187 | 52H | 0.472727 | 0.772727 |
188 | SA8 | 0.471698 | 0.765432 |
189 | AF3 ADP 3PG | 0.471545 | 0.875 |
190 | ALF ADP 3PG | 0.471545 | 0.875 |
191 | ATP A | 0.470085 | 0.918919 |
192 | ATP A A A | 0.470085 | 0.918919 |
193 | NAE | 0.469697 | 0.909091 |
194 | 3AM | 0.469388 | 0.866667 |
195 | 8X1 | 0.468468 | 0.786517 |
196 | 4TC | 0.467742 | 0.910256 |
197 | UPA | 0.467742 | 0.897436 |
198 | 7MC | 0.467742 | 0.878049 |
199 | 5N5 | 0.467391 | 0.763158 |
200 | SAI | 0.46729 | 0.794872 |
201 | SFG | 0.466667 | 0.813333 |
202 | A4P | 0.464 | 0.835294 |
203 | 7D5 | 0.463918 | 0.820513 |
204 | SMM | 0.463636 | 0.741176 |
205 | A4D | 0.462366 | 0.763158 |
206 | P5A | 0.46087 | 0.777778 |
207 | 7D3 | 0.460784 | 0.822785 |
208 | NSS | 0.460177 | 0.813953 |
209 | A2R | 0.459459 | 0.92 |
210 | AHZ | 0.459016 | 0.831325 |
211 | EEM | 0.458716 | 0.746988 |
212 | DTA | 0.458333 | 0.779221 |
213 | ATR | 0.457944 | 0.88 |
214 | NDC | 0.457143 | 0.886076 |
215 | 7D4 | 0.457143 | 0.822785 |
216 | 9K8 | 0.456897 | 0.747253 |
217 | NVA LMS | 0.45614 | 0.786517 |
218 | EAD | 0.455882 | 0.8875 |
219 | D3Y | 0.455357 | 0.828947 |
220 | KOY | 0.455285 | 0.842105 |
221 | AR6 AR6 | 0.454545 | 0.932432 |
222 | B1U | 0.453782 | 0.75 |
223 | SAH | 0.453704 | 0.805195 |
224 | NDE | 0.453237 | 0.921053 |
225 | H1Q | 0.45283 | 0.868421 |
226 | SAM | 0.449541 | 0.746988 |
227 | J4G | 0.448276 | 0.96 |
228 | 3NZ | 0.448276 | 0.820513 |
229 | 649 | 0.448 | 0.797753 |
230 | EP4 | 0.447917 | 0.725 |
231 | NAJ PZO | 0.44697 | 0.8625 |
232 | BTX | 0.446154 | 0.855422 |
233 | 0WD | 0.446154 | 0.886076 |
234 | 6RE | 0.445545 | 0.753086 |
235 | 3DH | 0.444444 | 0.74359 |
236 | OZP | 0.443548 | 0.810127 |
237 | 62X | 0.443478 | 0.72093 |
238 | ITT | 0.443396 | 0.855263 |
239 | M2T | 0.443299 | 0.707317 |
240 | P1H | 0.442857 | 0.865854 |
241 | A2P | 0.442308 | 0.891892 |
242 | KB1 | 0.440678 | 0.777778 |
243 | KXW | 0.439024 | 0.7875 |
244 | 4YB | 0.439024 | 0.837209 |
245 | MTA | 0.438776 | 0.74359 |
246 | F2N | 0.43871 | 0.827586 |
247 | QXP | 0.438596 | 0.758621 |
248 | S7M | 0.4375 | 0.746988 |
249 | J7C | 0.436893 | 0.7625 |
250 | A3N | 0.436893 | 0.734177 |
251 | V3L | 0.436364 | 0.932432 |
252 | Q2V | 0.434109 | 0.777778 |
253 | A3S | 0.433962 | 0.826667 |
254 | 6AD | 0.432432 | 0.829268 |
255 | NWW | 0.431579 | 0.72973 |
256 | ARU | 0.431034 | 0.785714 |
257 | QXG | 0.42735 | 0.75 |
258 | K15 | 0.42735 | 0.738095 |
259 | JSQ | 0.427273 | 0.860759 |
260 | HFD | 0.427273 | 0.860759 |
261 | FB0 | 0.426573 | 0.797753 |
262 | GEK | 0.426087 | 0.797468 |
263 | V47 | 0.424779 | 0.824324 |
264 | Q2P | 0.424242 | 0.75 |
265 | NAJ PYZ | 0.423358 | 0.821429 |
266 | NPW | 0.423077 | 0.9 |
267 | IMO | 0.423077 | 0.866667 |
268 | 0UM | 0.422414 | 0.756098 |
269 | DCA | 0.422222 | 0.816092 |
270 | Q34 | 0.421875 | 0.75 |
271 | 8Q2 | 0.421875 | 0.806818 |
272 | FAQ | 0.421769 | 0.818182 |
273 | ZAS | 0.421569 | 0.759494 |
274 | K3K | 0.421488 | 0.772152 |
275 | FAJ | 0.421384 | 0.86747 |
276 | 38V | 0.42029 | 0.876543 |
277 | NZQ | 0.419847 | 0.898734 |
278 | S4M | 0.419048 | 0.681818 |
279 | GJV | 0.419048 | 0.743902 |
280 | 6MZ | 0.419048 | 0.868421 |
281 | FA9 | 0.417722 | 0.878049 |
282 | NJP | 0.416667 | 0.909091 |
283 | 2SA | 0.415929 | 0.946667 |
284 | 2AM | 0.415842 | 0.855263 |
285 | NA7 | 0.415254 | 0.896104 |
286 | A6D | 0.415254 | 0.717647 |
287 | MAO | 0.415094 | 0.77381 |
288 | K3E | 0.414634 | 0.7625 |
289 | O02 | 0.414414 | 0.8625 |
290 | 4TA | 0.413534 | 0.865854 |
291 | DSH | 0.413462 | 0.740741 |
292 | NEC | 0.413462 | 0.717949 |
293 | A3G | 0.413462 | 0.815789 |
294 | 9JJ | 0.412903 | 0.853659 |
295 | DAT | 0.412844 | 0.87013 |
296 | A3T | 0.412844 | 0.789474 |
297 | CUU | 0.412844 | 0.906667 |
298 | R2V | 0.411765 | 0.758621 |
299 | ETB | 0.411765 | 0.825581 |
300 | ACO | 0.411348 | 0.788889 |
301 | 7C5 | 0.41129 | 0.833333 |
302 | Q2M | 0.410853 | 0.746988 |
303 | F0P | 0.410853 | 0.810127 |
304 | DTP | 0.410714 | 0.87013 |
305 | 3AT | 0.410714 | 0.906667 |
306 | FNK | 0.410596 | 0.818182 |
307 | NO7 | 0.408696 | 0.848101 |
308 | K2R | 0.408333 | 0.92 |
309 | A7D | 0.407407 | 0.769231 |
310 | COS | 0.407143 | 0.797753 |
311 | CAO | 0.407143 | 0.788889 |
312 | AAT | 0.40708 | 0.722892 |
313 | N6P | 0.40678 | 0.878378 |
314 | NAD BBN | 0.406667 | 0.833333 |
315 | LQJ | 0.406504 | 0.906667 |
316 | KYE | 0.406504 | 0.75 |
317 | EU9 | 0.40625 | 0.758621 |
318 | ODP | 0.406015 | 0.875 |
319 | 0T1 | 0.405797 | 0.816092 |
320 | COA | 0.405797 | 0.816092 |
321 | BYC | 0.405405 | 0.818182 |
322 | OVE | 0.403846 | 0.822785 |
323 | AV2 | 0.403509 | 0.833333 |
324 | V1N | 0.403226 | 0.932432 |
325 | 6C6 | 0.401786 | 0.871795 |
326 | 6K6 | 0.401709 | 0.868421 |
327 | AVV | 0.401709 | 0.8625 |
328 | NDP | 0.401515 | 0.886076 |
329 | FDA | 0.401361 | 0.825581 |
330 | NAD CJ3 | 0.401316 | 0.804598 |
331 | BVT | 0.40113 | 0.802198 |
332 | NAP | 0.4 | 0.933333 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | TYR AMP | 0.8532 |
This union binding pocket(no: 1) in the query (biounit: 4r0m.bio1) has 28 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 6IJB | AMP | 26.283 |