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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 1 families. | |||||
1 | 5OE6 | - | 9SN | C17 H18 F N6 O8 P | c1cc(c(c(c.... |
2 | 5OE4 | - | 3UK | C17 H19 N6 O8 P | c1ccc(c(c1.... |
3 | 5OE5 | - | 3UK | C17 H19 N6 O8 P | c1ccc(c(c1.... |
4 | 5OE3 | - | 3UK | C17 H19 N6 O8 P | c1ccc(c(c1.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 1 families. | |||||
1 | 5OE6 | - | 9SN | C17 H18 F N6 O8 P | c1cc(c(c(c.... |
2 | 5OE4 | - | 3UK | C17 H19 N6 O8 P | c1ccc(c(c1.... |
3 | 5OE5 | - | 3UK | C17 H19 N6 O8 P | c1ccc(c(c1.... |
4 | 5OE3 | - | 3UK | C17 H19 N6 O8 P | c1ccc(c(c1.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | 9SN | 1 | 1 |
2 | 3UK | 0.729167 | 0.947368 |
3 | B5M | 0.727273 | 0.923077 |
4 | B5V | 0.704082 | 0.935065 |
5 | OOB | 0.697917 | 0.934211 |
6 | CA0 | 0.688889 | 0.897436 |
7 | KG4 | 0.681319 | 0.897436 |
8 | 00A | 0.666667 | 0.961039 |
9 | 8LE | 0.663158 | 0.875 |
10 | A2D | 0.651685 | 0.896104 |
11 | 5AL | 0.645833 | 0.909091 |
12 | B5Y | 0.644231 | 0.923077 |
13 | BA3 | 0.637363 | 0.896104 |
14 | 8LQ | 0.636364 | 0.886076 |
15 | DLL | 0.633663 | 0.934211 |
16 | SRP | 0.632653 | 0.886076 |
17 | 8LH | 0.632653 | 0.886076 |
18 | B4P | 0.630435 | 0.896104 |
19 | ADP | 0.630435 | 0.871795 |
20 | AP5 | 0.630435 | 0.896104 |
21 | AN2 | 0.623656 | 0.860759 |
22 | AT4 | 0.623656 | 0.839506 |
23 | PRX | 0.621053 | 0.82716 |
24 | AMP | 0.617977 | 0.87013 |
25 | A | 0.617977 | 0.87013 |
26 | ADX | 0.617021 | 0.790698 |
27 | M33 | 0.617021 | 0.860759 |
28 | AD9 | 0.614583 | 0.85 |
29 | 8QN | 0.613861 | 0.909091 |
30 | M24 | 0.613445 | 0.974359 |
31 | HEJ | 0.610526 | 0.871795 |
32 | ATP | 0.610526 | 0.871795 |
33 | 50T | 0.610526 | 0.8375 |
34 | ACP | 0.610526 | 0.85 |
35 | AMO | 0.607843 | 0.886076 |
36 | PAJ | 0.607843 | 0.843373 |
37 | 4AD | 0.607843 | 0.875 |
38 | ATF | 0.606061 | 0.910256 |
39 | LAD | 0.605769 | 0.843373 |
40 | WAQ | 0.605769 | 0.864198 |
41 | PR8 | 0.605769 | 0.833333 |
42 | 5FA | 0.604167 | 0.871795 |
43 | AQP | 0.604167 | 0.871795 |
44 | APR | 0.604167 | 0.896104 |
45 | AR6 | 0.604167 | 0.896104 |
46 | 1ZZ | 0.6 | 0.823529 |
47 | ME8 | 0.6 | 0.823529 |
48 | YAP | 0.598131 | 0.898734 |
49 | FA5 | 0.598131 | 0.910256 |
50 | AGS | 0.597938 | 0.829268 |
51 | SAP | 0.597938 | 0.829268 |
52 | 45A | 0.597826 | 0.848101 |
53 | ABM | 0.597826 | 0.848101 |
54 | GAP | 0.585859 | 0.873418 |
55 | ACQ | 0.585859 | 0.85 |
56 | ANP | 0.585859 | 0.85 |
57 | A12 | 0.585106 | 0.839506 |
58 | AP2 | 0.585106 | 0.839506 |
59 | NB8 | 0.584906 | 0.853659 |
60 | PTJ | 0.584906 | 0.853659 |
61 | TXA | 0.584906 | 0.886076 |
62 | 4UU | 0.576577 | 0.898734 |
63 | SRA | 0.576087 | 0.82716 |
64 | ADP MG | 0.572917 | 0.87013 |
65 | A22 | 0.572816 | 0.884615 |
66 | AHX | 0.571429 | 0.831325 |
67 | DQV | 0.571429 | 0.909091 |
68 | FYA | 0.570093 | 0.860759 |
69 | 6YZ | 0.568627 | 0.85 |
70 | 5SV | 0.567308 | 0.788235 |
71 | AU1 | 0.56701 | 0.85 |
72 | LAQ | 0.566372 | 0.823529 |
73 | OAD | 0.566038 | 0.897436 |
74 | 9X8 | 0.566038 | 0.851852 |
75 | HQG | 0.563107 | 0.884615 |
76 | ADQ | 0.561905 | 0.897436 |
77 | A1R | 0.561905 | 0.819277 |
78 | YLP | 0.561404 | 0.804598 |
79 | 4UV | 0.558559 | 0.898734 |
80 | DAL AMP | 0.557692 | 0.884615 |
81 | SON | 0.556701 | 0.886076 |
82 | 3OD | 0.555556 | 0.897436 |
83 | APC | 0.555556 | 0.839506 |
84 | T99 | 0.554455 | 0.839506 |
85 | TAT | 0.554455 | 0.839506 |
86 | OZV | 0.552381 | 0.871795 |
87 | 25A | 0.552381 | 0.896104 |
88 | TYM | 0.551724 | 0.910256 |
89 | IOT | 0.550847 | 0.795455 |
90 | RBY | 0.55 | 0.8625 |
91 | ATP MG | 0.55 | 0.87013 |
92 | ADV | 0.55 | 0.8625 |
93 | ADP PO3 | 0.55 | 0.87013 |
94 | XAH | 0.54955 | 0.802326 |
95 | A3R | 0.54717 | 0.819277 |
96 | YLC | 0.547009 | 0.823529 |
97 | YLB | 0.547009 | 0.804598 |
98 | ALF ADP | 0.543689 | 0.875 |
99 | ADP ALF | 0.543689 | 0.875 |
100 | DND | 0.543103 | 0.910256 |
101 | 6V0 | 0.543103 | 0.853659 |
102 | NAX | 0.543103 | 0.833333 |
103 | NXX | 0.543103 | 0.910256 |
104 | BIS | 0.541284 | 0.8875 |
105 | 9ZD | 0.537736 | 0.864198 |
106 | 9ZA | 0.537736 | 0.864198 |
107 | APC MG | 0.534653 | 0.848101 |
108 | YLA | 0.533333 | 0.804598 |
109 | TYR AMP | 0.530973 | 0.875 |
110 | 4UW | 0.529915 | 0.865854 |
111 | TXD | 0.529915 | 0.864198 |
112 | AYB | 0.528926 | 0.795455 |
113 | 9K8 | 0.527273 | 0.8 |
114 | G3A | 0.526316 | 0.876543 |
115 | TXE | 0.525424 | 0.864198 |
116 | ADP VO4 | 0.52381 | 0.860759 |
117 | VO4 ADP | 0.52381 | 0.860759 |
118 | 25L | 0.522523 | 0.884615 |
119 | MYR AMP | 0.522523 | 0.802326 |
120 | ARG AMP | 0.521739 | 0.793103 |
121 | G5P | 0.521739 | 0.876543 |
122 | NAD | 0.520325 | 0.909091 |
123 | AMP DBH | 0.517544 | 0.873418 |
124 | NAI | 0.516949 | 0.864198 |
125 | CNA | 0.516393 | 0.886076 |
126 | LMS | 0.515789 | 0.770115 |
127 | MAP | 0.514019 | 0.829268 |
128 | A3D | 0.512 | 0.897436 |
129 | ADP BMA | 0.509091 | 0.873418 |
130 | AFH | 0.508621 | 0.936709 |
131 | 48N | 0.508475 | 0.853659 |
132 | AOC | 0.505155 | 0.759494 |
133 | A A | 0.504505 | 0.871795 |
134 | GTA | 0.504274 | 0.845238 |
135 | BT5 | 0.504 | 0.795455 |
136 | DZD | 0.504 | 0.843373 |
137 | YLY | 0.5 | 0.795455 |
138 | G5A | 0.5 | 0.747253 |
139 | F2R | 0.5 | 0.804598 |
140 | 5AS | 0.5 | 0.728261 |
141 | OMR | 0.5 | 0.813953 |
142 | NAJ PZO | 0.496063 | 0.831325 |
143 | AMP NAD | 0.496 | 0.909091 |
144 | T5A | 0.495935 | 0.804598 |
145 | LPA AMP | 0.495798 | 0.802326 |
146 | GA7 | 0.495726 | 0.839506 |
147 | SSA | 0.495327 | 0.747253 |
148 | UP5 | 0.491667 | 0.875 |
149 | 52H | 0.490741 | 0.747253 |
150 | N0B | 0.48855 | 0.825581 |
151 | 80F | 0.488189 | 0.825581 |
152 | AHZ | 0.487395 | 0.823529 |
153 | ATP A A A | 0.486957 | 0.883117 |
154 | ATP A | 0.486957 | 0.883117 |
155 | JB6 | 0.486726 | 0.841463 |
156 | NVA LMS | 0.486486 | 0.723404 |
157 | TSB | 0.486239 | 0.764045 |
158 | 53H | 0.486239 | 0.747253 |
159 | A5A | 0.485981 | 0.772727 |
160 | ADJ | 0.483871 | 0.813953 |
161 | 4TC | 0.483607 | 0.853659 |
162 | UPA | 0.483607 | 0.864198 |
163 | AP0 | 0.483607 | 0.831325 |
164 | 5CD | 0.483516 | 0.766234 |
165 | ADN | 0.483146 | 0.75641 |
166 | RAB | 0.483146 | 0.75641 |
167 | XYA | 0.483146 | 0.75641 |
168 | 7MD | 0.483051 | 0.823529 |
169 | B1U | 0.482759 | 0.744681 |
170 | 2A5 | 0.480769 | 0.804878 |
171 | TAD | 0.478992 | 0.821429 |
172 | DSZ | 0.477477 | 0.766667 |
173 | ZID | 0.477273 | 0.922078 |
174 | VMS | 0.477064 | 0.755556 |
175 | 54H | 0.477064 | 0.755556 |
176 | PAP | 0.47619 | 0.858974 |
177 | ATR | 0.47619 | 0.846154 |
178 | AF3 ADP 3PG | 0.47541 | 0.888889 |
179 | A3P | 0.475248 | 0.87013 |
180 | NAE | 0.473282 | 0.898734 |
181 | 5CA | 0.472727 | 0.747253 |
182 | 8X1 | 0.472727 | 0.723404 |
183 | 5N5 | 0.472527 | 0.734177 |
184 | COD | 0.472441 | 0.758242 |
185 | YSA | 0.470085 | 0.766667 |
186 | NAQ | 0.469697 | 0.876543 |
187 | A4P | 0.467742 | 0.786517 |
188 | A4D | 0.467391 | 0.734177 |
189 | P5A | 0.464912 | 0.715789 |
190 | KAA | 0.464912 | 0.723404 |
191 | GSU | 0.464912 | 0.766667 |
192 | 6RE | 0.464646 | 0.686047 |
193 | NSS | 0.464286 | 0.747253 |
194 | LSS | 0.464286 | 0.731183 |
195 | A2R | 0.463636 | 0.884615 |
196 | DTA | 0.463158 | 0.75 |
197 | PPS | 0.462963 | 0.770115 |
198 | 8PZ | 0.461538 | 0.766667 |
199 | ITT | 0.461538 | 0.822785 |
200 | BTX | 0.460938 | 0.784091 |
201 | A2P | 0.460784 | 0.857143 |
202 | 139 | 0.460317 | 0.833333 |
203 | EAD | 0.459259 | 0.833333 |
204 | 3AM | 0.459184 | 0.833333 |
205 | KOY | 0.459016 | 0.833333 |
206 | AR6 AR6 | 0.458333 | 0.896104 |
207 | JSQ | 0.457944 | 0.923077 |
208 | HFD | 0.457944 | 0.923077 |
209 | H1Q | 0.457143 | 0.835443 |
210 | NDE | 0.456522 | 0.910256 |
211 | LEU LMS | 0.45614 | 0.723404 |
212 | J7C | 0.455446 | 0.694118 |
213 | SMM | 0.454545 | 0.677778 |
214 | 4YB | 0.454545 | 0.788889 |
215 | 7D5 | 0.453608 | 0.790123 |
216 | EP4 | 0.452632 | 0.698795 |
217 | 7D3 | 0.45098 | 0.792683 |
218 | 6AD | 0.449541 | 0.8 |
219 | 3DH | 0.44898 | 0.716049 |
220 | SA8 | 0.448598 | 0.697674 |
221 | 7MC | 0.448 | 0.804598 |
222 | M2T | 0.447917 | 0.682353 |
223 | NAJ PYZ | 0.447761 | 0.857143 |
224 | 7D4 | 0.447619 | 0.792683 |
225 | P1H | 0.446043 | 0.813953 |
226 | 5X8 | 0.443396 | 0.75 |
227 | SFG | 0.443396 | 0.7375 |
228 | MTA | 0.443299 | 0.716049 |
229 | WSA | 0.44 | 0.775281 |
230 | FB0 | 0.439716 | 0.734043 |
231 | NDC | 0.439716 | 0.876543 |
232 | A G | 0.438462 | 0.864198 |
233 | 4TA | 0.438462 | 0.793103 |
234 | G A A A | 0.438462 | 0.853659 |
235 | GJV | 0.436893 | 0.678161 |
236 | EEM | 0.436364 | 0.681818 |
237 | A5D | 0.435185 | 0.75 |
238 | U A G G | 0.435115 | 0.864198 |
239 | ARU | 0.434783 | 0.8 |
240 | 2AM | 0.434343 | 0.822785 |
241 | MAO | 0.432692 | 0.707865 |
242 | FNK | 0.432432 | 0.771739 |
243 | SAH | 0.431193 | 0.731707 |
244 | SAI | 0.431193 | 0.722892 |
245 | NA7 | 0.431034 | 0.839506 |
246 | NJP | 0.430769 | 0.875 |
247 | DAT | 0.429907 | 0.792683 |
248 | AVV | 0.429825 | 0.9 |
249 | U A | 0.428571 | 0.864198 |
250 | 649 | 0.428571 | 0.734043 |
251 | 0WD | 0.427481 | 0.853659 |
252 | J4G | 0.42735 | 0.875 |
253 | DTP | 0.427273 | 0.792683 |
254 | V3L | 0.427273 | 0.896104 |
255 | SAM | 0.427273 | 0.681818 |
256 | 3AT | 0.427273 | 0.848101 |
257 | A3N | 0.427184 | 0.707317 |
258 | IMO | 0.427184 | 0.833333 |
259 | NPW | 0.426357 | 0.823529 |
260 | 7C5 | 0.42623 | 0.825 |
261 | ZAS | 0.425743 | 0.710843 |
262 | 8Q2 | 0.425197 | 0.741935 |
263 | 9JJ | 0.424837 | 0.91358 |
264 | NAP | 0.423358 | 0.897436 |
265 | 6MZ | 0.423077 | 0.835443 |
266 | S4M | 0.423077 | 0.623656 |
267 | MHZ | 0.420561 | 0.652174 |
268 | KB1 | 0.420168 | 0.792683 |
269 | AV2 | 0.419643 | 0.802469 |
270 | A6D | 0.418803 | 0.693182 |
271 | DSH | 0.417476 | 0.674419 |
272 | A3G | 0.417476 | 0.740741 |
273 | NA0 | 0.417266 | 0.886076 |
274 | NHD | 0.416667 | 0.884615 |
275 | S7M | 0.415929 | 0.681818 |
276 | F2N | 0.414013 | 0.78022 |
277 | 0UM | 0.413793 | 0.689655 |
278 | OZP | 0.412698 | 0.738095 |
279 | NO7 | 0.412281 | 0.817073 |
280 | NZQ | 0.412214 | 0.843373 |
281 | TXP | 0.412214 | 0.853659 |
282 | ANZ | 0.41129 | 0.851852 |
283 | A7D | 0.411215 | 0.719512 |
284 | 6FA | 0.410959 | 0.825581 |
285 | NFD | 0.410448 | 0.961039 |
286 | TAP | 0.410072 | 0.841463 |
287 | C2R | 0.41 | 0.858974 |
288 | AMZ | 0.41 | 0.846154 |
289 | LQJ | 0.409836 | 0.871795 |
290 | NVA 2AD | 0.409091 | 0.705882 |
291 | ODP | 0.409091 | 0.843373 |
292 | OVE | 0.407767 | 0.792683 |
293 | SLU | 0.407407 | 0.758242 |
294 | 2SA | 0.40708 | 0.8625 |
295 | K15 | 0.40678 | 0.674157 |
296 | V1N | 0.406504 | 0.896104 |
297 | GEK | 0.405172 | 0.72619 |
298 | NDP | 0.40458 | 0.853659 |
299 | FDA | 0.40411 | 0.797753 |
300 | 62F | 0.403974 | 0.823529 |
301 | D5M | 0.403846 | 0.790123 |
302 | N5O | 0.403846 | 0.707317 |
303 | NEC | 0.403846 | 0.691358 |
304 | DA | 0.403846 | 0.790123 |
305 | 6IA | 0.401786 | 0.758621 |
306 | APU | 0.4 | 0.851852 |
307 | Z5A | 0.4 | 0.766667 |
308 | A U | 0.4 | 0.851852 |
This union binding pocket(no: 1) in the query (biounit: 5oe4.bio2) has 23 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 2D1S | SLU | 24.3243 |
2 | 4RLQ | 3SK | 49.14 |
This union binding pocket(no: 2) in the query (biounit: 5oe4.bio1) has 23 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 2V7B | BEZ | 46.1916 |