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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 13 families. | |||||
1 | 5WM2 | - | SAL | C7 H6 O3 | c1ccc(c(c1.... |
2 | 5WM3 | - | B5V | C17 H18 N5 O9 P | c1ccc(c(c1.... |
3 | 5WM7 | - | AMP | C10 H14 N5 O7 P | c1nc(c2c(n.... |
4 | 5WM6 | - | OOB | C17 H18 N5 O8 P | c1ccc(cc1).... |
5 | 5WM5 | - | B5Y | C18 H20 N5 O9 P | Cc1ccc(c(c.... |
6 | 5WM4 | - | B5M | C18 H20 N5 O9 P | Cc1cccc(c1.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 8 families. | |||||
1 | 3O84 | Kd = 0.099 uM | HTJ | C19 H14 N4 O2 | c1ccc(cc1).... |
2 | 3O83 | - | IXN | C31 H43 N9 O8 S | CCCCCCCCCC.... |
3 | 5WM2 | - | SAL | C7 H6 O3 | c1ccc(c(c1.... |
4 | 5WM3 | - | B5V | C17 H18 N5 O9 P | c1ccc(c(c1.... |
5 | 5WM7 | - | AMP | C10 H14 N5 O7 P | c1nc(c2c(n.... |
6 | 5WM6 | - | OOB | C17 H18 N5 O8 P | c1ccc(cc1).... |
7 | 5WM5 | - | B5Y | C18 H20 N5 O9 P | Cc1ccc(c(c.... |
8 | 5WM4 | - | B5M | C18 H20 N5 O9 P | Cc1cccc(c1.... |
9 | 1MDB | - | AMP DBH | n/a | n/a |
10 | 6IYK | Ki = 50 nM | B1U | C17 H17 N7 O9 S | c1ccc(c(c1.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | B5Y | 1 | 1 |
2 | B5V | 0.75 | 0.986486 |
3 | 3UK | 0.704082 | 0.972973 |
4 | B5M | 0.686275 | 1 |
5 | CA0 | 0.681319 | 0.921053 |
6 | KG4 | 0.673913 | 0.921053 |
7 | OOB | 0.673469 | 0.959459 |
8 | 00A | 0.66 | 0.910256 |
9 | 8LE | 0.65625 | 0.922078 |
10 | 5AL | 0.65625 | 0.959459 |
11 | PAJ | 0.65 | 0.8875 |
12 | 8LQ | 0.646465 | 0.934211 |
13 | A2D | 0.644444 | 0.92 |
14 | 9SN | 0.644231 | 0.923077 |
15 | 8LH | 0.642857 | 0.934211 |
16 | BA3 | 0.630435 | 0.92 |
17 | M33 | 0.62766 | 0.907895 |
18 | DLL | 0.627451 | 0.959459 |
19 | SRP | 0.626263 | 0.909091 |
20 | 1ZZ | 0.625 | 0.865854 |
21 | 8QN | 0.623762 | 0.959459 |
22 | B4P | 0.623656 | 0.92 |
23 | AP5 | 0.623656 | 0.92 |
24 | ADP | 0.623656 | 0.894737 |
25 | AN2 | 0.617021 | 0.883117 |
26 | AT4 | 0.617021 | 0.860759 |
27 | WAQ | 0.615385 | 0.886076 |
28 | PRX | 0.614583 | 0.871795 |
29 | AMP | 0.611111 | 0.893333 |
30 | A | 0.611111 | 0.893333 |
31 | ADX | 0.610526 | 0.809524 |
32 | TXA | 0.609524 | 0.934211 |
33 | ME8 | 0.609524 | 0.865854 |
34 | 45A | 0.608696 | 0.894737 |
35 | ABM | 0.608696 | 0.894737 |
36 | AD9 | 0.608247 | 0.871795 |
37 | HEJ | 0.604167 | 0.894737 |
38 | 50T | 0.604167 | 0.858974 |
39 | ATP | 0.604167 | 0.894737 |
40 | ACP | 0.604167 | 0.871795 |
41 | 4AD | 0.601942 | 0.897436 |
42 | AMO | 0.601942 | 0.909091 |
43 | PR8 | 0.6 | 0.853659 |
44 | LAD | 0.6 | 0.864198 |
45 | 5FA | 0.597938 | 0.894737 |
46 | AR6 | 0.597938 | 0.92 |
47 | APR | 0.597938 | 0.92 |
48 | AQP | 0.597938 | 0.894737 |
49 | PTJ | 0.59434 | 0.898734 |
50 | 3OD | 0.59434 | 0.946667 |
51 | NB8 | 0.59434 | 0.875 |
52 | YAP | 0.592593 | 0.947368 |
53 | AGS | 0.591837 | 0.85 |
54 | SAP | 0.591837 | 0.85 |
55 | ACQ | 0.58 | 0.871795 |
56 | ANP | 0.58 | 0.871795 |
57 | A12 | 0.578947 | 0.860759 |
58 | AP2 | 0.578947 | 0.860759 |
59 | FA5 | 0.577982 | 0.934211 |
60 | OAD | 0.575472 | 0.946667 |
61 | SRA | 0.569892 | 0.848101 |
62 | ATF | 0.568627 | 0.860759 |
63 | AHX | 0.566038 | 0.851852 |
64 | GAP | 0.564356 | 0.896104 |
65 | 6YZ | 0.563107 | 0.871795 |
66 | 5SV | 0.561905 | 0.829268 |
67 | OZV | 0.561905 | 0.894737 |
68 | AU1 | 0.561224 | 0.871795 |
69 | 9X8 | 0.560748 | 0.897436 |
70 | ADV | 0.56 | 0.884615 |
71 | RBY | 0.56 | 0.884615 |
72 | HQG | 0.557692 | 0.907895 |
73 | 4UU | 0.557522 | 0.922078 |
74 | A3R | 0.556604 | 0.839506 |
75 | ADQ | 0.556604 | 0.921053 |
76 | YLP | 0.556522 | 0.845238 |
77 | 4UV | 0.553571 | 0.922078 |
78 | A22 | 0.552381 | 0.907895 |
79 | DAL AMP | 0.552381 | 0.933333 |
80 | ADP MG | 0.55102 | 0.893333 |
81 | SON | 0.55102 | 0.909091 |
82 | FYA | 0.550459 | 0.883117 |
83 | APC | 0.55 | 0.860759 |
84 | TAT | 0.54902 | 0.860759 |
85 | T99 | 0.54902 | 0.860759 |
86 | LAQ | 0.547826 | 0.843373 |
87 | 9ZD | 0.54717 | 0.910256 |
88 | 25A | 0.54717 | 0.92 |
89 | 9ZA | 0.54717 | 0.910256 |
90 | TYM | 0.547009 | 0.934211 |
91 | 48N | 0.543103 | 0.898734 |
92 | YLC | 0.542373 | 0.865854 |
93 | YLB | 0.542373 | 0.845238 |
94 | A1R | 0.542056 | 0.839506 |
95 | DQV | 0.53913 | 0.933333 |
96 | 4UW | 0.538462 | 0.911392 |
97 | IOT | 0.533333 | 0.813953 |
98 | M24 | 0.531746 | 0.9 |
99 | MYR AMP | 0.531532 | 0.843373 |
100 | XAH | 0.530973 | 0.821429 |
101 | ADP PO3 | 0.529412 | 0.893333 |
102 | APC MG | 0.529412 | 0.87013 |
103 | ATP MG | 0.529412 | 0.893333 |
104 | NAX | 0.525424 | 0.853659 |
105 | AYB | 0.52459 | 0.835294 |
106 | BIS | 0.522523 | 0.839506 |
107 | G3A | 0.521739 | 0.898734 |
108 | OMR | 0.521008 | 0.855422 |
109 | 25L | 0.517857 | 0.907895 |
110 | G5P | 0.517241 | 0.898734 |
111 | YLA | 0.516393 | 0.823529 |
112 | A A | 0.513514 | 0.894737 |
113 | TYR AMP | 0.513043 | 0.922078 |
114 | GTA | 0.512821 | 0.888889 |
115 | NAI | 0.512605 | 0.886076 |
116 | 6V0 | 0.512605 | 0.875 |
117 | DND | 0.512605 | 0.934211 |
118 | NXX | 0.512605 | 0.934211 |
119 | LMS | 0.510417 | 0.788235 |
120 | ALF ADP | 0.509434 | 0.82716 |
121 | ADP ALF | 0.509434 | 0.82716 |
122 | MAP | 0.509259 | 0.85 |
123 | 9K8 | 0.508929 | 0.777778 |
124 | VO4 ADP | 0.504673 | 0.883117 |
125 | ADP VO4 | 0.504673 | 0.883117 |
126 | GA7 | 0.504274 | 0.884615 |
127 | T5A | 0.504065 | 0.845238 |
128 | NAE | 0.503876 | 0.947368 |
129 | TXD | 0.5 | 0.886076 |
130 | CNA | 0.5 | 0.909091 |
131 | AOC | 0.5 | 0.779221 |
132 | BT5 | 0.5 | 0.813953 |
133 | YLY | 0.496124 | 0.835294 |
134 | A3D | 0.496063 | 0.946667 |
135 | TXE | 0.495868 | 0.886076 |
136 | ATP A | 0.495652 | 0.906667 |
137 | ATP A A A | 0.495652 | 0.906667 |
138 | 5AS | 0.49505 | 0.764045 |
139 | COD | 0.492063 | 0.795455 |
140 | AFH | 0.491525 | 0.864198 |
141 | ADP BMA | 0.491071 | 0.896104 |
142 | NAQ | 0.48855 | 0.923077 |
143 | UP5 | 0.487603 | 0.897436 |
144 | TAD | 0.487395 | 0.841463 |
145 | AMP DBH | 0.487179 | 0.921053 |
146 | PAP | 0.485714 | 0.881579 |
147 | A3P | 0.485149 | 0.893333 |
148 | F2R | 0.484127 | 0.823529 |
149 | AHZ | 0.483333 | 0.865854 |
150 | JB6 | 0.482456 | 0.8625 |
151 | TSB | 0.481818 | 0.802326 |
152 | A5A | 0.481481 | 0.811765 |
153 | G5A | 0.481132 | 0.764045 |
154 | NAD | 0.480315 | 0.933333 |
155 | 4TC | 0.479675 | 0.875 |
156 | AP0 | 0.479675 | 0.875 |
157 | UPA | 0.479675 | 0.886076 |
158 | ARG AMP | 0.478992 | 0.811765 |
159 | 5CD | 0.478261 | 0.763158 |
160 | RAB | 0.477778 | 0.776316 |
161 | ADN | 0.477778 | 0.776316 |
162 | XYA | 0.477778 | 0.776316 |
163 | SSA | 0.477064 | 0.764045 |
164 | DZD | 0.476562 | 0.864198 |
165 | 2A5 | 0.47619 | 0.825 |
166 | A4P | 0.475806 | 0.804598 |
167 | ZID | 0.473684 | 0.946667 |
168 | N0B | 0.473684 | 0.845238 |
169 | 54H | 0.472727 | 0.793103 |
170 | 52H | 0.472727 | 0.784091 |
171 | VMS | 0.472727 | 0.793103 |
172 | PPS | 0.472222 | 0.788235 |
173 | ITT | 0.471154 | 0.868421 |
174 | 53H | 0.468468 | 0.784091 |
175 | 139 | 0.468254 | 0.853659 |
176 | 6FA | 0.468085 | 0.890244 |
177 | 7MC | 0.467742 | 0.845238 |
178 | 5N5 | 0.467391 | 0.753247 |
179 | LPA AMP | 0.467213 | 0.821429 |
180 | 7MD | 0.466667 | 0.843373 |
181 | EAD | 0.466667 | 0.876543 |
182 | YSA | 0.466102 | 0.804598 |
183 | EP4 | 0.463158 | 0.7375 |
184 | A4D | 0.462366 | 0.753247 |
185 | 80F | 0.461538 | 0.845238 |
186 | P5A | 0.46087 | 0.731183 |
187 | LSS | 0.460177 | 0.766667 |
188 | AF3 ADP 3PG | 0.459677 | 0.841463 |
189 | 3DH | 0.459184 | 0.75641 |
190 | 6AD | 0.458716 | 0.841463 |
191 | DTA | 0.458333 | 0.769231 |
192 | M2T | 0.458333 | 0.719512 |
193 | ATR | 0.457944 | 0.868421 |
194 | AMP NAD | 0.457364 | 0.933333 |
195 | G A A A | 0.457364 | 0.875 |
196 | BTX | 0.457364 | 0.802326 |
197 | ADJ | 0.456693 | 0.833333 |
198 | NVA LMS | 0.45614 | 0.758242 |
199 | 5CA | 0.455357 | 0.764045 |
200 | 8X1 | 0.455357 | 0.73913 |
201 | 3AM | 0.454545 | 0.855263 |
202 | MTA | 0.453608 | 0.75641 |
203 | P1H | 0.453237 | 0.855422 |
204 | H1Q | 0.45283 | 0.857143 |
205 | LEU LMS | 0.452174 | 0.758242 |
206 | J7C | 0.45098 | 0.710843 |
207 | SMM | 0.45045 | 0.712644 |
208 | 7D5 | 0.44898 | 0.810127 |
209 | NSS | 0.447368 | 0.764045 |
210 | DSZ | 0.447368 | 0.784091 |
211 | 7D3 | 0.446602 | 0.8125 |
212 | S4M | 0.446602 | 0.655556 |
213 | A2R | 0.446429 | 0.907895 |
214 | 7C5 | 0.446281 | 0.846154 |
215 | A G | 0.446154 | 0.886076 |
216 | 6RE | 0.445545 | 0.702381 |
217 | SA8 | 0.444444 | 0.73494 |
218 | P5F | 0.444444 | 0.848837 |
219 | KOY | 0.443548 | 0.88 |
220 | 7D4 | 0.443396 | 0.8125 |
221 | NDE | 0.442857 | 0.934211 |
222 | U A G G | 0.442748 | 0.886076 |
223 | AR6 AR6 | 0.442623 | 0.92 |
224 | A2P | 0.442308 | 0.88 |
225 | MAO | 0.442308 | 0.744186 |
226 | B1U | 0.441667 | 0.76087 |
227 | 5X8 | 0.439252 | 0.769231 |
228 | FNK | 0.439189 | 0.808989 |
229 | IMO | 0.436893 | 0.88 |
230 | NDC | 0.43662 | 0.898734 |
231 | FB0 | 0.43662 | 0.769231 |
232 | WSA | 0.436508 | 0.793103 |
233 | SAM | 0.436364 | 0.717647 |
234 | KAA | 0.435897 | 0.73913 |
235 | GSU | 0.435897 | 0.784091 |
236 | 4TA | 0.435115 | 0.833333 |
237 | 0WD | 0.435115 | 0.875 |
238 | 8PZ | 0.433333 | 0.784091 |
239 | 6MZ | 0.432692 | 0.881579 |
240 | GJV | 0.432692 | 0.694118 |
241 | EEM | 0.432432 | 0.717647 |
242 | FAD | 0.431507 | 0.878049 |
243 | FAS | 0.431507 | 0.878049 |
244 | ARU | 0.431034 | 0.797619 |
245 | FDA | 0.430556 | 0.837209 |
246 | MHZ | 0.429907 | 0.685393 |
247 | NJP | 0.427481 | 0.922078 |
248 | 4YB | 0.427419 | 0.806818 |
249 | NA7 | 0.42735 | 0.860759 |
250 | HFD | 0.427273 | 0.85 |
251 | SAI | 0.427273 | 0.740741 |
252 | JSQ | 0.427273 | 0.85 |
253 | SFG | 0.425926 | 0.75641 |
254 | NAJ PZO | 0.425373 | 0.851852 |
255 | RFL | 0.423841 | 0.847059 |
256 | V3L | 0.423423 | 0.92 |
257 | A3N | 0.423077 | 0.725 |
258 | RMB | 0.423077 | 0.826667 |
259 | DCA | 0.422222 | 0.786517 |
260 | SFD | 0.421769 | 0.757895 |
261 | ZAS | 0.421569 | 0.728395 |
262 | F2N | 0.420382 | 0.818182 |
263 | 62F | 0.42 | 0.888889 |
264 | AAT | 0.419643 | 0.674419 |
265 | A5D | 0.418182 | 0.769231 |
266 | FAY | 0.417219 | 0.888889 |
267 | 2AM | 0.415842 | 0.844156 |
268 | A A A | 0.415254 | 0.858974 |
269 | A6D | 0.415254 | 0.709302 |
270 | U A | 0.414815 | 0.886076 |
271 | SLU | 0.414815 | 0.795455 |
272 | SAH | 0.414414 | 0.75 |
273 | AVV | 0.413793 | 0.829268 |
274 | A3G | 0.413462 | 0.759494 |
275 | DSH | 0.413462 | 0.690476 |
276 | NEC | 0.413462 | 0.730769 |
277 | NAJ PYZ | 0.413043 | 0.811765 |
278 | S7M | 0.412281 | 0.717647 |
279 | NPW | 0.412214 | 0.843373 |
280 | ETB | 0.411765 | 0.795455 |
281 | J4G | 0.411765 | 0.897436 |
282 | 3AT | 0.410714 | 0.87013 |
283 | 0UM | 0.410256 | 0.72619 |
284 | NO7 | 0.408696 | 0.8375 |
285 | 5AD | 0.408602 | 0.72973 |
286 | A7D | 0.407407 | 0.7375 |
287 | Z5A | 0.407143 | 0.804598 |
288 | CAO | 0.407143 | 0.76087 |
289 | 62X | 0.40678 | 0.693182 |
290 | LQJ | 0.406504 | 0.894737 |
291 | ODP | 0.406015 | 0.864198 |
292 | COA | 0.405797 | 0.786517 |
293 | 0T1 | 0.405797 | 0.786517 |
294 | CMX | 0.404255 | 0.806818 |
295 | 9JJ | 0.403846 | 0.888889 |
296 | OVE | 0.403846 | 0.8125 |
297 | AV2 | 0.403509 | 0.822785 |
298 | 2SA | 0.403509 | 0.884615 |
299 | K15 | 0.403361 | 0.709302 |
300 | V1N | 0.403226 | 0.92 |
301 | 649 | 0.403101 | 0.769231 |
302 | 71V | 0.401869 | 0.817073 |
303 | NDP | 0.401515 | 0.875 |
304 | A3T | 0.4 | 0.802632 |
305 | 8Q2 | 0.4 | 0.777778 |
306 | FA9 | 0.4 | 0.86747 |
307 | DAT | 0.4 | 0.8125 |
This union binding pocket(no: 1) in the query (biounit: 5wm2.bio1) has 24 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 5wm2.bio1) has 26 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 6IJB | AMP | 39.8887 |