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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 2 families. | |||||
1 | 4TVY | - | 37R | C17 H18 N2 O4 | c1cc2c(cc1.... |
2 | 3A7R | - | LAQ | C18 H26 N5 O8 P S2 | c1nc(c2c(n.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 1 families. | |||||
1 | 4TVY | - | 37R | C17 H18 N2 O4 | c1cc2c(cc1.... |
2 | 3A7R | - | LAQ | C18 H26 N5 O8 P S2 | c1nc(c2c(n.... |
3 | 5T8U | - | LPA | C8 H14 O2 S2 | C1CSS[C@@H.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | LAQ | 1 | 1 |
2 | LPA AMP | 0.813725 | 0.975 |
3 | WAQ | 0.722772 | 0.925 |
4 | 1ZZ | 0.715686 | 0.880952 |
5 | BT5 | 0.652542 | 0.916667 |
6 | 8LQ | 0.640777 | 0.853659 |
7 | CA0 | 0.639175 | 0.864198 |
8 | KG4 | 0.632653 | 0.864198 |
9 | 8LE | 0.617647 | 0.843373 |
10 | DLL | 0.607477 | 0.875 |
11 | TXA | 0.605505 | 0.853659 |
12 | A2D | 0.604167 | 0.839506 |
13 | OOB | 0.603774 | 0.875 |
14 | 5AL | 0.601942 | 0.875 |
15 | AN2 | 0.59596 | 0.829268 |
16 | AT4 | 0.59596 | 0.876543 |
17 | QA7 | 0.59434 | 0.843373 |
18 | 00A | 0.592593 | 0.833333 |
19 | BA3 | 0.591837 | 0.839506 |
20 | ME8 | 0.590909 | 0.837209 |
21 | SRP | 0.590476 | 0.853659 |
22 | 8LH | 0.590476 | 0.853659 |
23 | M33 | 0.59 | 0.829268 |
24 | 8QN | 0.588785 | 0.875 |
25 | 3UK | 0.587156 | 0.864198 |
26 | AP5 | 0.585859 | 0.839506 |
27 | ADP | 0.585859 | 0.839506 |
28 | B4P | 0.585859 | 0.839506 |
29 | ACP | 0.584158 | 0.819277 |
30 | PAJ | 0.583333 | 0.813953 |
31 | PR8 | 0.581818 | 0.891566 |
32 | ADX | 0.574257 | 0.804598 |
33 | AMP | 0.572917 | 0.8375 |
34 | A | 0.572917 | 0.8375 |
35 | AGS | 0.572816 | 0.865854 |
36 | MYR AMP | 0.571429 | 0.858824 |
37 | 4AD | 0.568807 | 0.843373 |
38 | AMO | 0.568807 | 0.853659 |
39 | ATP | 0.568627 | 0.839506 |
40 | 50T | 0.568627 | 0.807229 |
41 | HEJ | 0.568627 | 0.839506 |
42 | LAD | 0.567568 | 0.879518 |
43 | B5V | 0.567568 | 0.853659 |
44 | 9SN | 0.566372 | 0.823529 |
45 | AR6 | 0.563107 | 0.8625 |
46 | 5FA | 0.563107 | 0.839506 |
47 | PRX | 0.563107 | 0.841463 |
48 | AQP | 0.563107 | 0.839506 |
49 | APR | 0.563107 | 0.8625 |
50 | PTJ | 0.5625 | 0.823529 |
51 | ACQ | 0.561905 | 0.819277 |
52 | GAP | 0.561905 | 0.841463 |
53 | FA5 | 0.561404 | 0.853659 |
54 | A12 | 0.56 | 0.831325 |
55 | AP2 | 0.56 | 0.831325 |
56 | OAD | 0.558559 | 0.864198 |
57 | AD9 | 0.557692 | 0.819277 |
58 | ABM | 0.555556 | 0.817073 |
59 | 45A | 0.555556 | 0.817073 |
60 | AMP MG | 0.55102 | 0.825 |
61 | SON | 0.54902 | 0.876543 |
62 | NB8 | 0.548673 | 0.823529 |
63 | 3OD | 0.548673 | 0.864198 |
64 | B5M | 0.547826 | 0.843373 |
65 | B5Y | 0.547826 | 0.843373 |
66 | ANP | 0.54717 | 0.819277 |
67 | 6YZ | 0.546296 | 0.819277 |
68 | OMR | 0.545455 | 0.870588 |
69 | IOT | 0.544715 | 0.850575 |
70 | 4UU | 0.542373 | 0.843373 |
71 | V2G | 0.542056 | 0.845238 |
72 | HQG | 0.541284 | 0.851852 |
73 | A3R | 0.540541 | 0.833333 |
74 | ADQ | 0.540541 | 0.841463 |
75 | 4UW | 0.53719 | 0.813953 |
76 | ATF | 0.537037 | 0.809524 |
77 | A22 | 0.536364 | 0.829268 |
78 | AHX | 0.535714 | 0.802326 |
79 | SRA | 0.535354 | 0.864198 |
80 | ADP MG | 0.533981 | 0.8375 |
81 | ADP BEF | 0.533981 | 0.8375 |
82 | APC | 0.533333 | 0.831325 |
83 | 25A | 0.531532 | 0.839506 |
84 | 5SV | 0.531532 | 0.845238 |
85 | 9X8 | 0.530973 | 0.865854 |
86 | AU1 | 0.528846 | 0.819277 |
87 | RBY | 0.528302 | 0.853659 |
88 | ADV | 0.528302 | 0.853659 |
89 | A1R | 0.526786 | 0.833333 |
90 | 4UV | 0.525424 | 0.843373 |
91 | NAX | 0.52459 | 0.804598 |
92 | DAL AMP | 0.522523 | 0.851852 |
93 | JNT | 0.522124 | 0.841463 |
94 | FYA | 0.521739 | 0.829268 |
95 | TYM | 0.520325 | 0.853659 |
96 | TAT | 0.518519 | 0.876543 |
97 | T99 | 0.518519 | 0.876543 |
98 | OZV | 0.517857 | 0.839506 |
99 | XAH | 0.516949 | 0.837209 |
100 | YLP | 0.516393 | 0.860465 |
101 | YLB | 0.516129 | 0.860465 |
102 | APC MG | 0.514019 | 0.839506 |
103 | DND | 0.512195 | 0.853659 |
104 | BIS | 0.508621 | 0.833333 |
105 | 9ZD | 0.504425 | 0.833333 |
106 | 9ZA | 0.504425 | 0.833333 |
107 | 25L | 0.504274 | 0.829268 |
108 | 48N | 0.504065 | 0.823529 |
109 | YLC | 0.504 | 0.858824 |
110 | BTX | 0.503876 | 0.904762 |
111 | DQV | 0.5 | 0.851852 |
112 | ADP PO3 | 0.5 | 0.8375 |
113 | TXD | 0.5 | 0.833333 |
114 | ATP MG | 0.5 | 0.8375 |
115 | NAI | 0.5 | 0.811765 |
116 | YLY | 0.496241 | 0.850575 |
117 | KMQ | 0.495798 | 0.831325 |
118 | VO4 ADP | 0.495495 | 0.819277 |
119 | BEF ADP | 0.495413 | 0.817073 |
120 | D4F | 0.492537 | 0.858824 |
121 | COD | 0.492308 | 0.831461 |
122 | YLA | 0.492188 | 0.860465 |
123 | GA7 | 0.491803 | 0.788235 |
124 | AYB | 0.488372 | 0.850575 |
125 | CNA | 0.488372 | 0.831325 |
126 | 6V0 | 0.488 | 0.802326 |
127 | A3D | 0.484848 | 0.841463 |
128 | F2R | 0.484615 | 0.818182 |
129 | TXE | 0.484127 | 0.833333 |
130 | G3A | 0.483607 | 0.802326 |
131 | MAP | 0.482456 | 0.8 |
132 | ANP MG | 0.482143 | 0.829268 |
133 | ALF ADP | 0.482143 | 0.77907 |
134 | NAD | 0.480916 | 0.851852 |
135 | ADJ | 0.48062 | 0.827586 |
136 | LMS | 0.480392 | 0.784091 |
137 | AP0 | 0.480315 | 0.781609 |
138 | L3W | 0.480315 | 0.831325 |
139 | G5P | 0.479675 | 0.802326 |
140 | AFH | 0.479675 | 0.793103 |
141 | 7MD | 0.479675 | 0.858824 |
142 | ADP BMA | 0.478632 | 0.819277 |
143 | DZD | 0.477273 | 0.835294 |
144 | A4P | 0.476562 | 0.741935 |
145 | TAD | 0.475806 | 0.879518 |
146 | AMP DBH | 0.47541 | 0.797619 |
147 | AOC | 0.471154 | 0.731707 |
148 | JB6 | 0.470588 | 0.901235 |
149 | 8X1 | 0.469565 | 0.755319 |
150 | TSB | 0.469565 | 0.777778 |
151 | T5A | 0.469231 | 0.797753 |
152 | G5A | 0.468468 | 0.76087 |
153 | H1Q | 0.46789 | 0.804878 |
154 | ARG AMP | 0.467742 | 0.806818 |
155 | 5AS | 0.46729 | 0.76087 |
156 | GTA | 0.464 | 0.775281 |
157 | N0B | 0.463768 | 0.860465 |
158 | M24 | 0.463235 | 0.804598 |
159 | RAB | 0.463158 | 0.728395 |
160 | XYA | 0.463158 | 0.728395 |
161 | ADN | 0.463158 | 0.728395 |
162 | P5A | 0.462185 | 0.804348 |
163 | ALF ADP 3PG | 0.460938 | 0.793103 |
164 | VMS | 0.46087 | 0.769231 |
165 | 54H | 0.46087 | 0.769231 |
166 | 52H | 0.46087 | 0.76087 |
167 | AHZ | 0.460317 | 0.858824 |
168 | PAP | 0.459459 | 0.82716 |
169 | ATP A A A | 0.459016 | 0.82716 |
170 | ATP A | 0.459016 | 0.82716 |
171 | 139 | 0.458015 | 0.825581 |
172 | A3P | 0.457944 | 0.8375 |
173 | NAD IBO | 0.457364 | 0.839506 |
174 | UPA | 0.457364 | 0.811765 |
175 | NAD TDB | 0.457364 | 0.839506 |
176 | 7MC | 0.457364 | 0.83908 |
177 | 4TC | 0.457364 | 0.802326 |
178 | NAQ | 0.456522 | 0.802326 |
179 | A5A | 0.45614 | 0.786517 |
180 | AR6 AR6 | 0.456 | 0.839506 |
181 | UP5 | 0.453125 | 0.821429 |
182 | SSA | 0.452174 | 0.76087 |
183 | 80F | 0.451852 | 0.818182 |
184 | 2A5 | 0.45045 | 0.819277 |
185 | AF3 ADP 3PG | 0.449612 | 0.793103 |
186 | DSZ | 0.449153 | 0.78022 |
187 | 5CD | 0.44898 | 0.716049 |
188 | AMP NAD | 0.447761 | 0.851852 |
189 | PPS | 0.447368 | 0.784091 |
190 | ATR | 0.446429 | 0.814815 |
191 | DTA | 0.445545 | 0.7875 |
192 | 53H | 0.444444 | 0.76087 |
193 | 5CA | 0.444444 | 0.76087 |
194 | NDE | 0.444444 | 0.831325 |
195 | YSA | 0.443548 | 0.76087 |
196 | ZID | 0.442857 | 0.841463 |
197 | 3AM | 0.442308 | 0.802469 |
198 | MTA | 0.441176 | 0.710843 |
199 | NAE | 0.438849 | 0.821429 |
200 | 5N5 | 0.438776 | 0.707317 |
201 | 649 | 0.438462 | 0.804348 |
202 | KAA | 0.438017 | 0.793478 |
203 | GSU | 0.438017 | 0.8 |
204 | NSS | 0.436975 | 0.76087 |
205 | LSS | 0.436975 | 0.744681 |
206 | 7D5 | 0.436893 | 0.783133 |
207 | EAD | 0.43662 | 0.784091 |
208 | A2R | 0.435897 | 0.851852 |
209 | 8PZ | 0.435484 | 0.76087 |
210 | 7D3 | 0.435185 | 0.785714 |
211 | 6AD | 0.434783 | 0.813953 |
212 | P1H | 0.434483 | 0.786517 |
213 | 9K8 | 0.434426 | 0.736842 |
214 | A4D | 0.434343 | 0.728395 |
215 | 6RE | 0.433962 | 0.681818 |
216 | NVA LMS | 0.433333 | 0.755319 |
217 | 3DH | 0.432692 | 0.710843 |
218 | 38V | 0.432624 | 0.795455 |
219 | ITT | 0.432432 | 0.792683 |
220 | 7D4 | 0.432432 | 0.785714 |
221 | A2P | 0.431193 | 0.825 |
222 | LEU LMS | 0.429752 | 0.734043 |
223 | NJP | 0.42963 | 0.821429 |
224 | 5X8 | 0.428571 | 0.743902 |
225 | CUU | 0.428571 | 0.817073 |
226 | NDC | 0.428571 | 0.890244 |
227 | SFG | 0.428571 | 0.753086 |
228 | HYC | 0.426667 | 0.770115 |
229 | 0WD | 0.426471 | 0.802326 |
230 | 3AT | 0.426087 | 0.817073 |
231 | V3L | 0.426087 | 0.8625 |
232 | J7C | 0.425926 | 0.689655 |
233 | NPW | 0.425373 | 0.795455 |
234 | 7C5 | 0.425197 | 0.752941 |
235 | AAT | 0.422414 | 0.752941 |
236 | GJV | 0.422018 | 0.693182 |
237 | EP4 | 0.421569 | 0.674419 |
238 | B1U | 0.420635 | 0.721649 |
239 | 4YB | 0.418605 | 0.782609 |
240 | NA7 | 0.418033 | 0.853659 |
241 | M2T | 0.417476 | 0.678161 |
242 | O02 | 0.417391 | 0.802326 |
243 | NAJ PZO | 0.417266 | 0.781609 |
244 | WSA | 0.416667 | 0.769231 |
245 | DSH | 0.416667 | 0.75 |
246 | V47 | 0.415254 | 0.7625 |
247 | 9JJ | 0.415094 | 0.775281 |
248 | KOY | 0.412214 | 0.780488 |
249 | ARU | 0.409836 | 0.733333 |
250 | COS | 0.409722 | 0.844444 |
251 | LQJ | 0.409449 | 0.817073 |
252 | FB0 | 0.409396 | 0.784946 |
253 | CAJ | 0.409396 | 0.804348 |
254 | S4M | 0.409091 | 0.692308 |
255 | A5D | 0.408696 | 0.7875 |
256 | 0T1 | 0.408451 | 0.802198 |
257 | NWW | 0.405941 | 0.675 |
258 | 4TA | 0.405797 | 0.786517 |
259 | 2AM | 0.40566 | 0.792683 |
260 | NAJ PYZ | 0.405594 | 0.747253 |
261 | JSQ | 0.405172 | 0.8 |
262 | SAH | 0.405172 | 0.768293 |
263 | HFD | 0.405172 | 0.8 |
264 | QXP | 0.404959 | 0.728261 |
265 | NDP | 0.404412 | 0.802326 |
266 | ACO | 0.40411 | 0.815217 |
267 | DAT | 0.403509 | 0.807229 |
268 | SMM | 0.403361 | 0.711111 |
269 | J4G | 0.403226 | 0.865854 |
270 | 8Q2 | 0.402985 | 0.736842 |
271 | CO6 | 0.402685 | 0.824176 |
272 | HXC | 0.402597 | 0.806452 |
273 | DTP | 0.401709 | 0.807229 |
274 | K3K | 0.401575 | 0.697674 |
275 | TXP | 0.40146 | 0.823529 |
276 | BS5 | 0.40146 | 0.776596 |
277 | IMO | 0.4 | 0.802469 |
278 | NO7 | 0.4 | 0.788235 |
279 | NAD BBN | 0.4 | 0.758242 |
280 | 2MC | 0.4 | 0.789474 |
281 | A3N | 0.4 | 0.682353 |
282 | AMX | 0.4 | 0.811111 |
283 | SCD | 0.4 | 0.822222 |
284 | CAO | 0.4 | 0.815217 |
No: | Ligand | Similarity coefficient |
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